4-amino-N-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pyrimidine-5-carboxamide

C17H18F2N4O — CID 126795222

IUPAC4-amino-N-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pyrimidine-5-carboxamide
SMILESNc1ncncc1C(=O)N(Cc1cc(F)ccc1F)C1CCCC1
InChIInChI=1S/C17H18F2N4O/c18-12-5-6-15(19)11(7-12)9-23(13-3-1-2-4-13)17(24)14-8-21-10-22-16(14)20/h5-8,10,13H,1-4,9H2,(H2,20,21,22)
InChIKeyJIWBLUCBUXHLST-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.92
Rot. Bonds4

About 4-amino-N-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pyrimidine-5-carboxamide

4-amino-N-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 126795222) has the molecular formula C17H18F2N4O and a molecular weight of 332.35 g/mol. Its IUPAC name is 4-amino-N-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pyrimidine-5-carboxamide
PubChem CID126795222
Molecular FormulaC17H18F2N4O
Molecular Weight332.35 g/mol
Exact Mass332.14
IUPAC Name4-amino-N-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pyrimidine-5-carboxamide
SMILESNc1ncncc1C(=O)N(Cc1cc(F)ccc1F)C1CCCC1
InChIInChI=1S/C17H18F2N4O/c18-12-5-6-15(19)11(7-12)9-23(13-3-1-2-4-13)17(24)14-8-21-10-22-16(14)20/h5-8,10,13H,1-4,9H2,(H2,20,21,22)
InChIKeyJIWBLUCBUXHLST-UHFFFAOYSA-N
XLogP2.92
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pyrimidine-5-carboxamide (CID 126795222) is 4-amino-N-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pyrimidine-5-carboxamide is Nc1ncncc1C(=O)N(Cc1cc(F)ccc1F)C1CCCC1.
What is the InChIKey of 4-amino-N-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is JIWBLUCBUXHLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O/c18-12-5-6-15(19)11(7-12)9-23(13-3-1-2-4-13)17(24)14-8-21-10-22-16(14)20/h5-8,10,13H,1-4,9H2,(H2,20,21,22).
What are the key properties of 4-amino-N-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pyrimidine-5-carboxamide?
4-amino-N-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 332.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 126795222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).