2-amino-5-(methylamino)-4-[(4-methylmorpholin-2-yl)amino]-1H-pyrimidin-6-one

C10H18N6O2 — CID 137179244

IUPAC2-amino-5-(methylamino)-4-[(4-methylmorpholin-2-yl)amino]-1H-pyrimidin-6-one
SMILESCNc1c(NC2CN(C)CCO2)nc(N)[nH]c1=O
InChIInChI=1S/C10H18N6O2/c1-12-7-8(14-10(11)15-9(7)17)13-6-5-16(2)3-4-18-6/h6,12H,3-5H2,1-2H3,(H4,11,13,14,15,17)
InChIKeyXVGXMXQQMPBIBT-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.91
Rot. Bonds3

About 2-amino-5-(methylamino)-4-[(4-methylmorpholin-2-yl)amino]-1H-pyrimidin-6-one

2-amino-5-(methylamino)-4-[(4-methylmorpholin-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 137179244) has the molecular formula C10H18N6O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-amino-5-(methylamino)-4-[(4-methylmorpholin-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-(methylamino)-4-[(4-methylmorpholin-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID137179244
Molecular FormulaC10H18N6O2
Molecular Weight254.29 g/mol
Exact Mass254.15
IUPAC Name2-amino-5-(methylamino)-4-[(4-methylmorpholin-2-yl)amino]-1H-pyrimidin-6-one
SMILESCNc1c(NC2CN(C)CCO2)nc(N)[nH]c1=O
InChIInChI=1S/C10H18N6O2/c1-12-7-8(14-10(11)15-9(7)17)13-6-5-16(2)3-4-18-6/h6,12H,3-5H2,1-2H3,(H4,11,13,14,15,17)
InChIKeyXVGXMXQQMPBIBT-UHFFFAOYSA-N
XLogP-0.91
TPSA108.30 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(methylamino)-4-[(4-methylmorpholin-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-(methylamino)-4-[(4-methylmorpholin-2-yl)amino]-1H-pyrimidin-6-one (CID 137179244) is 2-amino-5-(methylamino)-4-[(4-methylmorpholin-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-(methylamino)-4-[(4-methylmorpholin-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-(methylamino)-4-[(4-methylmorpholin-2-yl)amino]-1H-pyrimidin-6-one is CNc1c(NC2CN(C)CCO2)nc(N)[nH]c1=O.
What is the InChIKey of 2-amino-5-(methylamino)-4-[(4-methylmorpholin-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is XVGXMXQQMPBIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O2/c1-12-7-8(14-10(11)15-9(7)17)13-6-5-16(2)3-4-18-6/h6,12H,3-5H2,1-2H3,(H4,11,13,14,15,17).
What are the key properties of 2-amino-5-(methylamino)-4-[(4-methylmorpholin-2-yl)amino]-1H-pyrimidin-6-one?
2-amino-5-(methylamino)-4-[(4-methylmorpholin-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 254.29 g/mol, XLogP of -0.91, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(methylamino)-4-[(4-methylmorpholin-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137179244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).