N-cyclopentyl-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide

C16H16F2N4O — CID 109249710

IUPACN-cyclopentyl-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide
SMILESO=C(NC1CCCC1)c1cnc(Nc2ccc(F)c(F)c2)nc1
InChIInChI=1S/C16H16F2N4O/c17-13-6-5-12(7-14(13)18)22-16-19-8-10(9-20-16)15(23)21-11-3-1-2-4-11/h5-9,11H,1-4H2,(H,21,23)(H,19,20,22)
InChIKeyYLWFKEFEDRBOEI-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.17
Rot. Bonds4

About N-cyclopentyl-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide

N-cyclopentyl-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide (PubChem CID 109249710) has the molecular formula C16H16F2N4O and a molecular weight of 318.33 g/mol. Its IUPAC name is N-cyclopentyl-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide
PubChem CID109249710
Molecular FormulaC16H16F2N4O
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC NameN-cyclopentyl-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide
SMILESO=C(NC1CCCC1)c1cnc(Nc2ccc(F)c(F)c2)nc1
InChIInChI=1S/C16H16F2N4O/c17-13-6-5-12(7-14(13)18)22-16-19-8-10(9-20-16)15(23)21-11-3-1-2-4-11/h5-9,11H,1-4H2,(H,21,23)(H,19,20,22)
InChIKeyYLWFKEFEDRBOEI-UHFFFAOYSA-N
XLogP3.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109263097
2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250380
2-(3-chloroanilino)-N-cycloheptylpyrimidine-5-carboxamide
CID 109263115
N-cyclopropyl-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide
CID 109247436
N-cycloheptyl-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109263138
N-cyclopentyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109249645
2-(4-cyanoanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250453
N-cycloheptyl-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109263102
N-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109263127
2-(3-cyanoanilino)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249705
N-cyclohexyl-2-(2,4-dichloroanilino)pyrimidine-5-carboxamide
CID 109250442
2-(4-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268923

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-cyclopentyl-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide (CID 109249710) is N-cyclopentyl-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide is O=C(NC1CCCC1)c1cnc(Nc2ccc(F)c(F)c2)nc1.
What is the InChIKey of N-cyclopentyl-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide?
The InChIKey is YLWFKEFEDRBOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O/c17-13-6-5-12(7-14(13)18)22-16-19-8-10(9-20-16)15(23)21-11-3-1-2-4-11/h5-9,11H,1-4H2,(H,21,23)(H,19,20,22).
What are the key properties of N-cyclopentyl-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide?
N-cyclopentyl-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide has a molecular weight of 318.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109249710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).