4-[(3-amino-2-methylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one

C11H20N4O2 — CID 136972773

IUPAC4-[(3-amino-2-methylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCN(CC(C)CN)c1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H20N4O2/c1-4-15(6-8(2)5-12)10-9(17-3)11(16)14-7-13-10/h7-8H,4-6,12H2,1-3H3,(H,13,14,16)
InChIKeyYEQRHFZTAKYEPM-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.20
Rot. Bonds6

About 4-[(3-amino-2-methylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one

4-[(3-amino-2-methylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136972773) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-[(3-amino-2-methylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-amino-2-methylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136972773
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-[(3-amino-2-methylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCN(CC(C)CN)c1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H20N4O2/c1-4-15(6-8(2)5-12)10-9(17-3)11(16)14-7-13-10/h7-8H,4-6,12H2,1-3H3,(H,13,14,16)
InChIKeyYEQRHFZTAKYEPM-UHFFFAOYSA-N
XLogP0.20
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-amino-2-methylpropyl)-ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136972771
4-[ethyl(propyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137009080
4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136978681
4-[2-aminopropyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137008367
2-[butan-2-yl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 137015754
4-[2,2-difluoroethyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137009953
4-[3-aminobutyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137008782
N'-ethyl-2-methyl-N'-(7H-purin-6-yl)propane-1,3-diamine
CID 54987903
ethyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetate
CID 136989669
5-methoxy-4-[methyl(2-propan-2-yloxyethyl)amino]-1H-pyrimidin-6-one
CID 136990031
5-methoxy-4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 103240608
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 136989946

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2-methylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-amino-2-methylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one (CID 136972773) is 4-[(3-amino-2-methylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-amino-2-methylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-amino-2-methylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one is CCN(CC(C)CN)c1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-[(3-amino-2-methylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is YEQRHFZTAKYEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-4-15(6-8(2)5-12)10-9(17-3)11(16)14-7-13-10/h7-8H,4-6,12H2,1-3H3,(H,13,14,16).
What are the key properties of 4-[(3-amino-2-methylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one?
4-[(3-amino-2-methylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 240.31 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2-methylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136972773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).