2-(naphthalen-2-ylamino)-4-propyl-1H-pyrimidin-6-one

C17H17N3O — CID 135667332

IUPAC2-(naphthalen-2-ylamino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(Nc2ccc3ccccc3c2)n1
InChIInChI=1S/C17H17N3O/c1-2-5-14-11-16(21)20-17(18-14)19-15-9-8-12-6-3-4-7-13(12)10-15/h3-4,6-11H,2,5H2,1H3,(H2,18,19,20,21)
InChIKeyLPAYFLRPTZGZBS-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.62
Rot. Bonds4

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

2-(naphthalen-2-ylamino)-4-propyl-1H-pyrimidin-6-one (PubChem CID 135667332) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(naphthalen-2-ylamino)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(naphthalen-2-ylamino)-4-propyl-1H-pyrimidin-6-one
PubChem CID135667332
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-(naphthalen-2-ylamino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(Nc2ccc3ccccc3c2)n1
InChIInChI=1S/C17H17N3O/c1-2-5-14-11-16(21)20-17(18-14)19-15-9-8-12-6-3-4-7-13(12)10-15/h3-4,6-11H,2,5H2,1H3,(H2,18,19,20,21)
InChIKeyLPAYFLRPTZGZBS-UHFFFAOYSA-N
XLogP3.62
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylamino)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(naphthalen-2-ylamino)-4-propyl-1H-pyrimidin-6-one (CID 135667332) is 2-(naphthalen-2-ylamino)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(naphthalen-2-ylamino)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(naphthalen-2-ylamino)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(Nc2ccc3ccccc3c2)n1.
What is the InChIKey of 2-(naphthalen-2-ylamino)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is LPAYFLRPTZGZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-5-14-11-16(21)20-17(18-14)19-15-9-8-12-6-3-4-7-13(12)10-15/h3-4,6-11H,2,5H2,1H3,(H2,18,19,20,21).
What are the key properties of 2-(naphthalen-2-ylamino)-4-propyl-1H-pyrimidin-6-one?
2-(naphthalen-2-ylamino)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 279.34 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylamino)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135667332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).