2-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide

C18H21FN4O2 — CID 138004806

IUPAC2-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCN(CCNC(=O)c1cc(=O)[nH]c(C2CC2)n1)Cc1ccc(F)cc1
InChIInChI=1S/C18H21FN4O2/c1-23(11-12-2-6-14(19)7-3-12)9-8-20-18(25)15-10-16(24)22-17(21-15)13-4-5-13/h2-3,6-7,10,13H,4-5,8-9,11H2,1H3,(H,20,25)(H,21,22,24)
InChIKeyYZHRHFFJTGZBLH-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.65
Rot. Bonds7

About 2-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide

2-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 138004806) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID138004806
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name2-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCN(CCNC(=O)c1cc(=O)[nH]c(C2CC2)n1)Cc1ccc(F)cc1
InChIInChI=1S/C18H21FN4O2/c1-23(11-12-2-6-14(19)7-3-12)9-8-20-18(25)15-10-16(24)22-17(21-15)13-4-5-13/h2-3,6-7,10,13H,4-5,8-9,11H2,1H3,(H,20,25)(H,21,22,24)
InChIKeyYZHRHFFJTGZBLH-UHFFFAOYSA-N
XLogP1.65
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 138004806) is 2-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide is CN(CCNC(=O)c1cc(=O)[nH]c(C2CC2)n1)Cc1ccc(F)cc1.
What is the InChIKey of 2-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is YZHRHFFJTGZBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-23(11-12-2-6-14(19)7-3-12)9-8-20-18(25)15-10-16(24)22-17(21-15)13-4-5-13/h2-3,6-7,10,13H,4-5,8-9,11H2,1H3,(H,20,25)(H,21,22,24).
What are the key properties of 2-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide?
2-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 138004806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).