4-amino-1-[(5R)-3-[[1-[(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

C18H24N6O7 — CID 143161819

IUPAC4-amino-1-[(5R)-3-[[1-[(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILESNc1ccn(C2O[C@@H](CO)CC2Nc2ccn(C3C[C@@H](O)[C@H](CO)O3)c(=O)n2)c(=O)n1
InChIInChI=1S/C18H24N6O7/c19-13-1-3-24(17(28)21-13)16-10(5-9(7-25)30-16)20-14-2-4-23(18(29)22-14)15-6-11(27)12(8-26)31-15/h1-4,9-12,15-16,25-27H,5-8H2,(H2,19,21,28)(H,20,22,29)/t9-,10?,11-,12+,15?,16?/m1/s1
InChIKeyJNXXOAGPSZHTEW-KEEKDFCCSA-N
MW436.43 g/mol
LogP-2.22
Rot. Bonds6

About 4-amino-1-[(5R)-3-[[1-[(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

4-amino-1-[(5R)-3-[[1-[(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one (PubChem CID 143161819) has the molecular formula C18H24N6O7 and a molecular weight of 436.43 g/mol. Its IUPAC name is 4-amino-1-[(5R)-3-[[1-[(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(5R)-3-[[1-[(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
PubChem CID143161819
Molecular FormulaC18H24N6O7
Molecular Weight436.43 g/mol
Exact Mass436.17
IUPAC Name4-amino-1-[(5R)-3-[[1-[(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILESNc1ccn(C2O[C@@H](CO)CC2Nc2ccn(C3C[C@@H](O)[C@H](CO)O3)c(=O)n2)c(=O)n1
InChIInChI=1S/C18H24N6O7/c19-13-1-3-24(17(28)21-13)16-10(5-9(7-25)30-16)20-14-2-4-23(18(29)22-14)15-6-11(27)12(8-26)31-15/h1-4,9-12,15-16,25-27H,5-8H2,(H2,19,21,28)(H,20,22,29)/t9-,10?,11-,12+,15?,16?/m1/s1
InChIKeyJNXXOAGPSZHTEW-KEEKDFCCSA-N
XLogP-2.22
TPSA186.98 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.43
LogP ≤ 5-2.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 4-amino-1-[(5R)-3-[[1-[(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(15N)azanyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl](2,4,5,6-13C4,1,3-15N2)pyrimidin-2-one
CID 123353107
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 1223201
bis(4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one);aminophosphonous acid
CID 67722421
4-amino-1-[(2R,4S,5R)-5-(aminomethyl)-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 14133066
4-amino-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one;4-amino-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 159747826
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;2,3,4,5-tetrahydroxypentanal
CID 174819905
4-amino-1-[(2S,5S)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 59015693
4-(6-aminohexylamino)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 14698388
4-amino-1-[5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 71344855
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one
CID 13188950
4-(15N)azanyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10586353
4-amino-1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 3013211

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(5R)-3-[[1-[(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(5R)-3-[[1-[(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one (CID 143161819) is 4-amino-1-[(5R)-3-[[1-[(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(5R)-3-[[1-[(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(5R)-3-[[1-[(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one is Nc1ccn(C2O[C@@H](CO)CC2Nc2ccn(C3C[C@@H](O)[C@H](CO)O3)c(=O)n2)c(=O)n1.
What is the InChIKey of 4-amino-1-[(5R)-3-[[1-[(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
The InChIKey is JNXXOAGPSZHTEW-KEEKDFCCSA-N. The full InChI is InChI=1S/C18H24N6O7/c19-13-1-3-24(17(28)21-13)16-10(5-9(7-25)30-16)20-14-2-4-23(18(29)22-14)15-6-11(27)12(8-26)31-15/h1-4,9-12,15-16,25-27H,5-8H2,(H2,19,21,28)(H,20,22,29)/t9-,10?,11-,12+,15?,16?/m1/s1.
What are the key properties of 4-amino-1-[(5R)-3-[[1-[(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(5R)-3-[[1-[(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one has a molecular weight of 436.43 g/mol, XLogP of -2.22, 6 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(5R)-3-[[1-[(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 143161819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).