5-amino-2-[methyl(3-phenylpropyl)amino]-4-pyridin-4-yl-1H-pyrimidin-6-one

C19H21N5O — CID 136648789

IUPAC5-amino-2-[methyl(3-phenylpropyl)amino]-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCN(CCCc1ccccc1)c1nc(-c2ccncc2)c(N)c(=O)[nH]1
InChIInChI=1S/C19H21N5O/c1-24(13-5-8-14-6-3-2-4-7-14)19-22-17(16(20)18(25)23-19)15-9-11-21-12-10-15/h2-4,6-7,9-12H,5,8,13,20H2,1H3,(H,22,23,25)
InChIKeyBAUHRZPLUOWPBB-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.48
Rot. Bonds6

About 5-amino-2-[methyl(3-phenylpropyl)amino]-4-pyridin-4-yl-1H-pyrimidin-6-one

5-amino-2-[methyl(3-phenylpropyl)amino]-4-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 136648789) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-amino-2-[methyl(3-phenylpropyl)amino]-4-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-2-[methyl(3-phenylpropyl)amino]-4-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID136648789
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name5-amino-2-[methyl(3-phenylpropyl)amino]-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCN(CCCc1ccccc1)c1nc(-c2ccncc2)c(N)c(=O)[nH]1
InChIInChI=1S/C19H21N5O/c1-24(13-5-8-14-6-3-2-4-7-14)19-22-17(16(20)18(25)23-19)15-9-11-21-12-10-15/h2-4,6-7,9-12H,5,8,13,20H2,1H3,(H,22,23,25)
InChIKeyBAUHRZPLUOWPBB-UHFFFAOYSA-N
XLogP2.48
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[methyl(3-phenylpropyl)amino]-4-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-2-[methyl(3-phenylpropyl)amino]-4-pyridin-4-yl-1H-pyrimidin-6-one (CID 136648789) is 5-amino-2-[methyl(3-phenylpropyl)amino]-4-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-2-[methyl(3-phenylpropyl)amino]-4-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-2-[methyl(3-phenylpropyl)amino]-4-pyridin-4-yl-1H-pyrimidin-6-one is CN(CCCc1ccccc1)c1nc(-c2ccncc2)c(N)c(=O)[nH]1.
What is the InChIKey of 5-amino-2-[methyl(3-phenylpropyl)amino]-4-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is BAUHRZPLUOWPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-24(13-5-8-14-6-3-2-4-7-14)19-22-17(16(20)18(25)23-19)15-9-11-21-12-10-15/h2-4,6-7,9-12H,5,8,13,20H2,1H3,(H,22,23,25).
What are the key properties of 5-amino-2-[methyl(3-phenylpropyl)amino]-4-pyridin-4-yl-1H-pyrimidin-6-one?
5-amino-2-[methyl(3-phenylpropyl)amino]-4-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 335.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[methyl(3-phenylpropyl)amino]-4-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136648789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).