2-amino-5-(3-aminopropyl)-4-phenyl-1H-pyrimidin-6-one;dihydrochloride

C13H18Cl2N4O — CID 137208977

IUPAC2-amino-5-(3-aminopropyl)-4-phenyl-1H-pyrimidin-6-one;dihydrochloride
SMILESCl.Cl.NCCCc1c(-c2ccccc2)nc(N)[nH]c1=O
InChIInChI=1S/C13H16N4O.2ClH/c14-8-4-7-10-11(9-5-2-1-3-6-9)16-13(15)17-12(10)18;;/h1-3,5-6H,4,7-8,14H2,(H3,15,16,17,18);2*1H
InChIKeyWGQNWMYDSHEYQM-UHFFFAOYSA-N
MW317.22 g/mol
LogP1.75
Rot. Bonds4

About 2-amino-5-(3-aminopropyl)-4-phenyl-1H-pyrimidin-6-one;dihydrochloride

2-amino-5-(3-aminopropyl)-4-phenyl-1H-pyrimidin-6-one;dihydrochloride (PubChem CID 137208977) has the molecular formula C13H18Cl2N4O and a molecular weight of 317.22 g/mol. Its IUPAC name is 2-amino-5-(3-aminopropyl)-4-phenyl-1H-pyrimidin-6-one;dihydrochloride.

Molecular Properties

Compound Name2-amino-5-(3-aminopropyl)-4-phenyl-1H-pyrimidin-6-one;dihydrochloride
PubChem CID137208977
Molecular FormulaC13H18Cl2N4O
Molecular Weight317.22 g/mol
Exact Mass316.09
IUPAC Name2-amino-5-(3-aminopropyl)-4-phenyl-1H-pyrimidin-6-one;dihydrochloride
SMILESCl.Cl.NCCCc1c(-c2ccccc2)nc(N)[nH]c1=O
InChIInChI=1S/C13H16N4O.2ClH/c14-8-4-7-10-11(9-5-2-1-3-6-9)16-13(15)17-12(10)18;;/h1-3,5-6H,4,7-8,14H2,(H3,15,16,17,18);2*1H
InChIKeyWGQNWMYDSHEYQM-UHFFFAOYSA-N
XLogP1.75
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methyl-2-[(phenylmethyl)amino]-4(3H)-pyrimidinone
CID 135421723
2-Amino-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
CID 135724997
2-Phenethylamino-6-propyl-3H-pyrimidin-4-one
CID 135424365
2-Amino-6-benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(1H)-one
CID 135441852
2-Amino-5-chloro-6-phenylpyrimidin-4(3H)-one
CID 135480622
2-Imino-5-methyl-6-phenyl-1,2-dihydropyrimidin-4-ol
CID 135449835
2-Amino-6-phenylpyrimidin-4-ol
CID 135420365
2-(benzylamino)-6-methyl-5-(3-methylbutyl)pyrimidin-4(3H)-one
CID 135448707
2-(benzylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ol
CID 135513632
2-(cyclohexylamino)-6-phenylpyrimidin-4(3H)-one
CID 135634689
6-phenyl-2-(piperidin-1-yl)pyrimidin-4(3H)-one
CID 135400155
2-(benzylamino)-5,6,7,8-tetrahydroquinazolin-4(3H)-one
CID 135417545

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-aminopropyl)-4-phenyl-1H-pyrimidin-6-one;dihydrochloride?
The IUPAC name of 2-amino-5-(3-aminopropyl)-4-phenyl-1H-pyrimidin-6-one;dihydrochloride (CID 137208977) is 2-amino-5-(3-aminopropyl)-4-phenyl-1H-pyrimidin-6-one;dihydrochloride.
What is the SMILES notation for 2-amino-5-(3-aminopropyl)-4-phenyl-1H-pyrimidin-6-one;dihydrochloride?
The canonical SMILES for 2-amino-5-(3-aminopropyl)-4-phenyl-1H-pyrimidin-6-one;dihydrochloride is Cl.Cl.NCCCc1c(-c2ccccc2)nc(N)[nH]c1=O.
What is the InChIKey of 2-amino-5-(3-aminopropyl)-4-phenyl-1H-pyrimidin-6-one;dihydrochloride?
The InChIKey is WGQNWMYDSHEYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O.2ClH/c14-8-4-7-10-11(9-5-2-1-3-6-9)16-13(15)17-12(10)18;;/h1-3,5-6H,4,7-8,14H2,(H3,15,16,17,18);2*1H.
What are the key properties of 2-amino-5-(3-aminopropyl)-4-phenyl-1H-pyrimidin-6-one;dihydrochloride?
2-amino-5-(3-aminopropyl)-4-phenyl-1H-pyrimidin-6-one;dihydrochloride has a molecular weight of 317.22 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-aminopropyl)-4-phenyl-1H-pyrimidin-6-one;dihydrochloride is sourced from PubChem (CID 137208977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).