2-amino-5-(3-anilinopropyl)-4-phenyl-1H-pyrimidin-6-one

C19H20N4O — CID 135454055

IUPAC2-amino-5-(3-anilinopropyl)-4-phenyl-1H-pyrimidin-6-one
SMILESNc1nc(-c2ccccc2)c(CCCNc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C19H20N4O/c20-19-22-17(14-8-3-1-4-9-14)16(18(24)23-19)12-7-13-21-15-10-5-2-6-11-15/h1-6,8-11,21H,7,12-13H2,(H3,20,22,23,24)
InChIKeySCRJBOTXSNZXCG-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.06
Rot. Bonds6

About 2-amino-5-(3-anilinopropyl)-4-phenyl-1H-pyrimidin-6-one

2-amino-5-(3-anilinopropyl)-4-phenyl-1H-pyrimidin-6-one (PubChem CID 135454055) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-amino-5-(3-anilinopropyl)-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-(3-anilinopropyl)-4-phenyl-1H-pyrimidin-6-one
PubChem CID135454055
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-amino-5-(3-anilinopropyl)-4-phenyl-1H-pyrimidin-6-one
SMILESNc1nc(-c2ccccc2)c(CCCNc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C19H20N4O/c20-19-22-17(14-8-3-1-4-9-14)16(18(24)23-19)12-7-13-21-15-10-5-2-6-11-15/h1-6,8-11,21H,7,12-13H2,(H3,20,22,23,24)
InChIKeySCRJBOTXSNZXCG-UHFFFAOYSA-N
XLogP3.06
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-anilinopropyl)-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-(3-anilinopropyl)-4-phenyl-1H-pyrimidin-6-one (CID 135454055) is 2-amino-5-(3-anilinopropyl)-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-(3-anilinopropyl)-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-(3-anilinopropyl)-4-phenyl-1H-pyrimidin-6-one is Nc1nc(-c2ccccc2)c(CCCNc2ccccc2)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-(3-anilinopropyl)-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is SCRJBOTXSNZXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c20-19-22-17(14-8-3-1-4-9-14)16(18(24)23-19)12-7-13-21-15-10-5-2-6-11-15/h1-6,8-11,21H,7,12-13H2,(H3,20,22,23,24).
What are the key properties of 2-amino-5-(3-anilinopropyl)-4-phenyl-1H-pyrimidin-6-one?
2-amino-5-(3-anilinopropyl)-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 320.40 g/mol, XLogP of 3.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-anilinopropyl)-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135454055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).