5-amino-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one

C10H16N4O3 — CID 136730463

IUPAC5-amino-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
SMILESNc1c(NC2(CO)CCOCC2)nc[nH]c1=O
InChIInChI=1S/C10H16N4O3/c11-7-8(12-6-13-9(7)16)14-10(5-15)1-3-17-4-2-10/h6,15H,1-5,11H2,(H2,12,13,14,16)
InChIKeyVDMPRYKZXFFHOV-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.69
Rot. Bonds3

About 5-amino-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one

5-amino-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one (PubChem CID 136730463) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-amino-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
PubChem CID136730463
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name5-amino-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
SMILESNc1c(NC2(CO)CCOCC2)nc[nH]c1=O
InChIInChI=1S/C10H16N4O3/c11-7-8(12-6-13-9(7)16)14-10(5-15)1-3-17-4-2-10/h6,15H,1-5,11H2,(H2,12,13,14,16)
InChIKeyVDMPRYKZXFFHOV-UHFFFAOYSA-N
XLogP-0.69
TPSA113.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136730452
4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136730476
4-[[4-(hydroxymethyl)oxan-4-yl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136730477
5-chloro-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136730479
5-amino-4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136819535
5-amino-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136849671
5-amino-4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-1H-pyrimidin-6-one
CID 136871937
5-amino-4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one
CID 136975421
5-amino-4-[(1-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136975983
5-amino-4-[(4-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136977363
5-amino-4-[[1-(hydroxymethyl)cyclobutyl]amino]-1H-pyrimidin-6-one
CID 136977384
4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid
CID 137015911

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one (CID 136730463) is 5-amino-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one is Nc1c(NC2(CO)CCOCC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one?
The InChIKey is VDMPRYKZXFFHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c11-7-8(12-6-13-9(7)16)14-10(5-15)1-3-17-4-2-10/h6,15H,1-5,11H2,(H2,12,13,14,16).
What are the key properties of 5-amino-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one?
5-amino-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one has a molecular weight of 240.26 g/mol, XLogP of -0.69, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136730463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).