4-amino-N-butyl-2-phenylpyrimidine-5-carboxamide

C15H18N4O — CID 83567065

IUPAC4-amino-N-butyl-2-phenylpyrimidine-5-carboxamide
SMILESCCCCNC(=O)c1cnc(-c2ccccc2)nc1N
InChIInChI=1S/C15H18N4O/c1-2-3-9-17-15(20)12-10-18-14(19-13(12)16)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,20)(H2,16,18,19)
InChIKeyHMWYHHUZUGRDMH-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.26
Rot. Bonds5

About 4-amino-N-butyl-2-phenylpyrimidine-5-carboxamide

4-amino-N-butyl-2-phenylpyrimidine-5-carboxamide (PubChem CID 83567065) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-amino-N-butyl-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-2-phenylpyrimidine-5-carboxamide
PubChem CID83567065
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-amino-N-butyl-2-phenylpyrimidine-5-carboxamide
SMILESCCCCNC(=O)c1cnc(-c2ccccc2)nc1N
InChIInChI=1S/C15H18N4O/c1-2-3-9-17-15(20)12-10-18-14(19-13(12)16)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,20)(H2,16,18,19)
InChIKeyHMWYHHUZUGRDMH-UHFFFAOYSA-N
XLogP2.26
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
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 4-amino-N-butyl-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-butyl-2-phenylpyrimidine-5-carboxamide (CID 83567065) is 4-amino-N-butyl-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-butyl-2-phenylpyrimidine-5-carboxamide is CCCCNC(=O)c1cnc(-c2ccccc2)nc1N.
What is the InChIKey of 4-amino-N-butyl-2-phenylpyrimidine-5-carboxamide?
The InChIKey is HMWYHHUZUGRDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-2-3-9-17-15(20)12-10-18-14(19-13(12)16)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,20)(H2,16,18,19).
What are the key properties of 4-amino-N-butyl-2-phenylpyrimidine-5-carboxamide?
4-amino-N-butyl-2-phenylpyrimidine-5-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 83567065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).