2-(ethylamino)-4-propyl-1H-pyrimidin-6-one

C9H15N3O — CID 135773301

IUPAC2-(ethylamino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(NCC)n1
InChIInChI=1S/C9H15N3O/c1-3-5-7-6-8(13)12-9(11-7)10-4-2/h6H,3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyMFMPFVQWGROGGF-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.15
Rot. Bonds4

About 2-(ethylamino)-4-propyl-1H-pyrimidin-6-one

2-(ethylamino)-4-propyl-1H-pyrimidin-6-one (PubChem CID 135773301) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(ethylamino)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(ethylamino)-4-propyl-1H-pyrimidin-6-one
PubChem CID135773301
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(ethylamino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(NCC)n1
InChIInChI=1S/C9H15N3O/c1-3-5-7-6-8(13)12-9(11-7)10-4-2/h6H,3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyMFMPFVQWGROGGF-UHFFFAOYSA-N
XLogP1.15
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(ethylamino)-4-propyl-1H-pyrimidin-6-one (CID 135773301) is 2-(ethylamino)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(ethylamino)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(ethylamino)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(NCC)n1.
What is the InChIKey of 2-(ethylamino)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is MFMPFVQWGROGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-5-7-6-8(13)12-9(11-7)10-4-2/h6H,3-5H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 2-(ethylamino)-4-propyl-1H-pyrimidin-6-one?
2-(ethylamino)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 181.24 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135773301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).