5-amino-4-[ethyl(propyl)amino]-1H-pyrimidin-6-one

C9H16N4O — CID 137009081

IUPAC5-amino-4-[ethyl(propyl)amino]-1H-pyrimidin-6-one
SMILESCCCN(CC)c1nc[nH]c(=O)c1N
InChIInChI=1S/C9H16N4O/c1-3-5-13(4-2)8-7(10)9(14)12-6-11-8/h6H,3-5,10H2,1-2H3,(H,11,12,14)
InChIKeyBIXJZLGBHHIZJF-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.59
Rot. Bonds4

About 5-amino-4-[ethyl(propyl)amino]-1H-pyrimidin-6-one

5-amino-4-[ethyl(propyl)amino]-1H-pyrimidin-6-one (PubChem CID 137009081) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-amino-4-[ethyl(propyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[ethyl(propyl)amino]-1H-pyrimidin-6-one
PubChem CID137009081
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name5-amino-4-[ethyl(propyl)amino]-1H-pyrimidin-6-one
SMILESCCCN(CC)c1nc[nH]c(=O)c1N
InChIInChI=1S/C9H16N4O/c1-3-5-13(4-2)8-7(10)9(14)12-6-11-8/h6H,3-5,10H2,1-2H3,(H,11,12,14)
InChIKeyBIXJZLGBHHIZJF-UHFFFAOYSA-N
XLogP0.59
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752206
5-amino-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136979773
4-[ethyl(propyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137009080
4-[2-aminoethyl(ethyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 137008333
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 137016005
5-amino-4-[propyl(pyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136989336
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid
CID 136958649
4-[3-aminopropyl(propyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136972544
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 136989947
5-amino-4-[2-methoxyethyl(methyl)amino]-1H-pyrimidin-6-one
CID 137009396
4-[(4-aminophenyl)methyl-propylamino]-5-iodo-1H-pyrimidin-6-one
CID 136979283
5-amino-4-[methyl(2-methylbutyl)amino]-1H-pyrimidin-6-one
CID 137009099

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[ethyl(propyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[ethyl(propyl)amino]-1H-pyrimidin-6-one (CID 137009081) is 5-amino-4-[ethyl(propyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[ethyl(propyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[ethyl(propyl)amino]-1H-pyrimidin-6-one is CCCN(CC)c1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[ethyl(propyl)amino]-1H-pyrimidin-6-one?
The InChIKey is BIXJZLGBHHIZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-5-13(4-2)8-7(10)9(14)12-6-11-8/h6H,3-5,10H2,1-2H3,(H,11,12,14).
What are the key properties of 5-amino-4-[ethyl(propyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[ethyl(propyl)amino]-1H-pyrimidin-6-one has a molecular weight of 196.25 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[ethyl(propyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137009081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).