2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one;propane

C12H25N5O2 — CID 143725444

IUPAC2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one;propane
SMILESCCC.CNCC(CO)Nc1c(C)nc(N)[nH]c1=O
InChIInChI=1S/C9H17N5O2.C3H8/c1-5-7(8(16)14-9(10)12-5)13-6(4-15)3-11-2;1-3-2/h6,11,13,15H,3-4H2,1-2H3,(H3,10,12,14,16);3H2,1-2H3
InChIKeyWKCCBULGKKOCCA-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.07
Rot. Bonds5

About 2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one;propane

2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one;propane (PubChem CID 143725444) has the molecular formula C12H25N5O2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one;propane.

Molecular Properties

Compound Name2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one;propane
PubChem CID143725444
Molecular FormulaC12H25N5O2
Molecular Weight271.36 g/mol
Exact Mass271.20
IUPAC Name2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one;propane
SMILESCCC.CNCC(CO)Nc1c(C)nc(N)[nH]c1=O
InChIInChI=1S/C9H17N5O2.C3H8/c1-5-7(8(16)14-9(10)12-5)13-6(4-15)3-11-2;1-3-2/h6,11,13,15H,3-4H2,1-2H3,(H3,10,12,14,16);3H2,1-2H3
InChIKeyWKCCBULGKKOCCA-UHFFFAOYSA-N
XLogP0.07
TPSA116.06 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one;propane with MolForge

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Related Compounds

6-(Hydroxymethyl)tetrahydropterin
CID 135484783
2-amino-6-(hydroxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride
CID 135510088
4(1H)-Pteridinone, 2-amino-5,6,7,8-tetrahydro-6-(methoxymethyl)-
CID 135546356
2-amino-6-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 135674617
2-Amino-6-(hydroxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one;dihydrochloride
CID 135626458
2-Amino-6-(hydroxymethyl)-7,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one
CID 135626459
2-Amino-7-(hydroxymethyl)-6,7-dimethyl-3,5,6,8-tetrahydropteridin-4-one
CID 135626463
2-amino-6-(1-hydroxypropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 136176977
N-[2-amino-4-(4-hydroxybutylamino)-6-oxo-1H-pyrimidin-5-yl]acetamide
CID 136426067
(6R)-2-amino-6-[(1S)-1-hydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 136473823
2-amino-6-[(1S)-1-hydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 136638714
2-amino-6-(1-hydroxybutyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 136967479

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one;propane?
The IUPAC name of 2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one;propane (CID 143725444) is 2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one;propane.
What is the SMILES notation for 2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one;propane?
The canonical SMILES for 2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one;propane is CCC.CNCC(CO)Nc1c(C)nc(N)[nH]c1=O.
What is the InChIKey of 2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one;propane?
The InChIKey is WKCCBULGKKOCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2.C3H8/c1-5-7(8(16)14-9(10)12-5)13-6(4-15)3-11-2;1-3-2/h6,11,13,15H,3-4H2,1-2H3,(H3,10,12,14,16);3H2,1-2H3.
What are the key properties of 2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one;propane?
2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one;propane has a molecular weight of 271.36 g/mol, XLogP of 0.07, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[[1-hydroxy-3-(methylamino)propan-2-yl]amino]-4-methyl-1H-pyrimidin-6-one;propane is sourced from PubChem (CID 143725444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).