5-amino-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one

C10H16N4O2 — CID 136974438

IUPAC5-amino-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCC2CCCOC2)nc[nH]c1=O
InChIInChI=1S/C10H16N4O2/c11-8-9(13-6-14-10(8)15)12-4-7-2-1-3-16-5-7/h6-7H,1-5,11H2,(H2,12,13,14,15)
InChIKeyAGSQGLQMIXRXDU-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.19
Rot. Bonds3

About 5-amino-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one

5-amino-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one (PubChem CID 136974438) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-amino-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one
PubChem CID136974438
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-amino-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCC2CCCOC2)nc[nH]c1=O
InChIInChI=1S/C10H16N4O2/c11-8-9(13-6-14-10(8)15)12-4-7-2-1-3-16-5-7/h6-7H,1-5,11H2,(H2,12,13,14,15)
InChIKeyAGSQGLQMIXRXDU-UHFFFAOYSA-N
XLogP0.19
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
CID 114586413
5-amino-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136754604
5-amino-4-(5-methoxypentylamino)-1H-pyrimidin-6-one
CID 136786671
5-amino-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136786680
5-amino-4-[[4-(aminomethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136819535
5-amino-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821997
5-amino-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136824104
5-amino-4-[(5-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136901123
5-iodo-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136956244
4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136956247
4-[methyl(oxan-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136957870
5-amino-4-(oxan-4-ylamino)-1H-pyrimidin-6-one
CID 136974085

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one (CID 136974438) is 5-amino-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one is Nc1c(NCC2CCCOC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one?
The InChIKey is AGSQGLQMIXRXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-8-9(13-6-14-10(8)15)12-4-7-2-1-3-16-5-7/h6-7H,1-5,11H2,(H2,12,13,14,15).
What are the key properties of 5-amino-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one?
5-amino-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(oxan-3-ylmethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136974438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).