N-[3-[methyl(propan-2-yl)amino]propyl]-2-phenylpyrimidine-5-carboxamide

C18H24N4O — CID 51094892

IUPACN-[3-[methyl(propan-2-yl)amino]propyl]-2-phenylpyrimidine-5-carboxamide
SMILESCC(C)N(C)CCCNC(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C18H24N4O/c1-14(2)22(3)11-7-10-19-18(23)16-12-20-17(21-13-16)15-8-5-4-6-9-15/h4-6,8-9,12-14H,7,10-11H2,1-3H3,(H,19,23)
InChIKeyHLHYKHCLFJFVKW-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.60
Rot. Bonds7

About N-[3-[methyl(propan-2-yl)amino]propyl]-2-phenylpyrimidine-5-carboxamide

N-[3-[methyl(propan-2-yl)amino]propyl]-2-phenylpyrimidine-5-carboxamide (PubChem CID 51094892) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[3-[methyl(propan-2-yl)amino]propyl]-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl(propan-2-yl)amino]propyl]-2-phenylpyrimidine-5-carboxamide
PubChem CID51094892
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[3-[methyl(propan-2-yl)amino]propyl]-2-phenylpyrimidine-5-carboxamide
SMILESCC(C)N(C)CCCNC(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C18H24N4O/c1-14(2)22(3)11-7-10-19-18(23)16-12-20-17(21-13-16)15-8-5-4-6-9-15/h4-6,8-9,12-14H,7,10-11H2,1-3H3,(H,19,23)
InChIKeyHLHYKHCLFJFVKW-UHFFFAOYSA-N
XLogP2.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
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 N-[3-[methyl(propan-2-yl)amino]propyl]-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-[3-[methyl(propan-2-yl)amino]propyl]-2-phenylpyrimidine-5-carboxamide (CID 51094892) is N-[3-[methyl(propan-2-yl)amino]propyl]-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-[methyl(propan-2-yl)amino]propyl]-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-[3-[methyl(propan-2-yl)amino]propyl]-2-phenylpyrimidine-5-carboxamide is CC(C)N(C)CCCNC(=O)c1cnc(-c2ccccc2)nc1.
What is the InChIKey of N-[3-[methyl(propan-2-yl)amino]propyl]-2-phenylpyrimidine-5-carboxamide?
The InChIKey is HLHYKHCLFJFVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14(2)22(3)11-7-10-19-18(23)16-12-20-17(21-13-16)15-8-5-4-6-9-15/h4-6,8-9,12-14H,7,10-11H2,1-3H3,(H,19,23).
What are the key properties of N-[3-[methyl(propan-2-yl)amino]propyl]-2-phenylpyrimidine-5-carboxamide?
N-[3-[methyl(propan-2-yl)amino]propyl]-2-phenylpyrimidine-5-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(propan-2-yl)amino]propyl]-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 51094892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).