N-[2-(2,2-difluorocyclopentyl)ethyl]-N-[(1,4-dimethylpyrazol-5-yl)methyl]-2-methylpyrimidin-4-amine

C18H25F2N5 — CID 167771844

IUPACN-[2-(2,2-difluorocyclopentyl)ethyl]-N-[(1,4-dimethylpyrazol-5-yl)methyl]-2-methylpyrimidin-4-amine
SMILESCc1nccc(N(CCC2CCCC2(F)F)Cc2c(C)cnn2C)n1
InChIInChI=1S/C18H25F2N5/c1-13-11-22-24(3)16(13)12-25(17-6-9-21-14(2)23-17)10-7-15-5-4-8-18(15,19)20/h6,9,11,15H,4-5,7-8,10,12H2,1-3H3
InChIKeyJYKOIIBJLAUARP-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.66
Rot. Bonds6

About N-[2-(2,2-difluorocyclopentyl)ethyl]-N-[(1,4-dimethylpyrazol-5-yl)methyl]-2-methylpyrimidin-4-amine

N-[2-(2,2-difluorocyclopentyl)ethyl]-N-[(1,4-dimethylpyrazol-5-yl)methyl]-2-methylpyrimidin-4-amine (PubChem CID 167771844) has the molecular formula C18H25F2N5 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[2-(2,2-difluorocyclopentyl)ethyl]-N-[(1,4-dimethylpyrazol-5-yl)methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluorocyclopentyl)ethyl]-N-[(1,4-dimethylpyrazol-5-yl)methyl]-2-methylpyrimidin-4-amine
PubChem CID167771844
Molecular FormulaC18H25F2N5
Molecular Weight349.43 g/mol
Exact Mass349.21
IUPAC NameN-[2-(2,2-difluorocyclopentyl)ethyl]-N-[(1,4-dimethylpyrazol-5-yl)methyl]-2-methylpyrimidin-4-amine
SMILESCc1nccc(N(CCC2CCCC2(F)F)Cc2c(C)cnn2C)n1
InChIInChI=1S/C18H25F2N5/c1-13-11-22-24(3)16(13)12-25(17-6-9-21-14(2)23-17)10-7-15-5-4-8-18(15,19)20/h6,9,11,15H,4-5,7-8,10,12H2,1-3H3
InChIKeyJYKOIIBJLAUARP-UHFFFAOYSA-N
XLogP3.66
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluorocyclopentyl)ethyl]-N-[(1,4-dimethylpyrazol-5-yl)methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of N-[2-(2,2-difluorocyclopentyl)ethyl]-N-[(1,4-dimethylpyrazol-5-yl)methyl]-2-methylpyrimidin-4-amine (CID 167771844) is N-[2-(2,2-difluorocyclopentyl)ethyl]-N-[(1,4-dimethylpyrazol-5-yl)methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(2,2-difluorocyclopentyl)ethyl]-N-[(1,4-dimethylpyrazol-5-yl)methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[2-(2,2-difluorocyclopentyl)ethyl]-N-[(1,4-dimethylpyrazol-5-yl)methyl]-2-methylpyrimidin-4-amine is Cc1nccc(N(CCC2CCCC2(F)F)Cc2c(C)cnn2C)n1.
What is the InChIKey of N-[2-(2,2-difluorocyclopentyl)ethyl]-N-[(1,4-dimethylpyrazol-5-yl)methyl]-2-methylpyrimidin-4-amine?
The InChIKey is JYKOIIBJLAUARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N5/c1-13-11-22-24(3)16(13)12-25(17-6-9-21-14(2)23-17)10-7-15-5-4-8-18(15,19)20/h6,9,11,15H,4-5,7-8,10,12H2,1-3H3.
What are the key properties of N-[2-(2,2-difluorocyclopentyl)ethyl]-N-[(1,4-dimethylpyrazol-5-yl)methyl]-2-methylpyrimidin-4-amine?
N-[2-(2,2-difluorocyclopentyl)ethyl]-N-[(1,4-dimethylpyrazol-5-yl)methyl]-2-methylpyrimidin-4-amine has a molecular weight of 349.43 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluorocyclopentyl)ethyl]-N-[(1,4-dimethylpyrazol-5-yl)methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 167771844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).