N-[(4-fluorophenyl)methyl]-6-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-4-carboxamide

C18H21FN4O — CID 110257732

IUPACN-[(4-fluorophenyl)methyl]-6-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(F)cc2)nc(C2CCCN2C)n1
InChIInChI=1S/C18H21FN4O/c1-12-10-15(22-17(21-12)16-4-3-9-23(16)2)18(24)20-11-13-5-7-14(19)8-6-13/h5-8,10,16H,3-4,9,11H2,1-2H3,(H,20,24)
InChIKeyAOXOBVODCOEJDA-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.62
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-6-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-6-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-4-carboxamide (PubChem CID 110257732) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-4-carboxamide
PubChem CID110257732
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC NameN-[(4-fluorophenyl)methyl]-6-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(F)cc2)nc(C2CCCN2C)n1
InChIInChI=1S/C18H21FN4O/c1-12-10-15(22-17(21-12)16-4-3-9-23(16)2)18(24)20-11-13-5-7-14(19)8-6-13/h5-8,10,16H,3-4,9,11H2,1-2H3,(H,20,24)
InChIKeyAOXOBVODCOEJDA-UHFFFAOYSA-N
XLogP2.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-4-carboxamide (CID 110257732) is N-[(4-fluorophenyl)methyl]-6-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCc2ccc(F)cc2)nc(C2CCCN2C)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-4-carboxamide?
The InChIKey is AOXOBVODCOEJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-12-10-15(22-17(21-12)16-4-3-9-23(16)2)18(24)20-11-13-5-7-14(19)8-6-13/h5-8,10,16H,3-4,9,11H2,1-2H3,(H,20,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-6-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-4-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-methyl-2-(1-methylpyrrolidin-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 110257732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).