4-N-[(4-chloro-3-fluorophenyl)methyl]-4-N-methyl-6-pyrazol-1-ylpyrimidine-4,5-diamine

C15H14ClFN6 — CID 133431082

IUPAC4-N-[(4-chloro-3-fluorophenyl)methyl]-4-N-methyl-6-pyrazol-1-ylpyrimidine-4,5-diamine
SMILESCN(Cc1ccc(Cl)c(F)c1)c1ncnc(-n2cccn2)c1N
InChIInChI=1S/C15H14ClFN6/c1-22(8-10-3-4-11(16)12(17)7-10)14-13(18)15(20-9-19-14)23-6-2-5-21-23/h2-7,9H,8,18H2,1H3
InChIKeyIGQVXPHUNOBGME-UHFFFAOYSA-N
MW332.77 g/mol
LogP2.67
Rot. Bonds4

About 4-N-[(4-chloro-3-fluorophenyl)methyl]-4-N-methyl-6-pyrazol-1-ylpyrimidine-4,5-diamine

4-N-[(4-chloro-3-fluorophenyl)methyl]-4-N-methyl-6-pyrazol-1-ylpyrimidine-4,5-diamine (PubChem CID 133431082) has the molecular formula C15H14ClFN6 and a molecular weight of 332.77 g/mol. Its IUPAC name is 4-N-[(4-chloro-3-fluorophenyl)methyl]-4-N-methyl-6-pyrazol-1-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-[(4-chloro-3-fluorophenyl)methyl]-4-N-methyl-6-pyrazol-1-ylpyrimidine-4,5-diamine
PubChem CID133431082
Molecular FormulaC15H14ClFN6
Molecular Weight332.77 g/mol
Exact Mass332.10
IUPAC Name4-N-[(4-chloro-3-fluorophenyl)methyl]-4-N-methyl-6-pyrazol-1-ylpyrimidine-4,5-diamine
SMILESCN(Cc1ccc(Cl)c(F)c1)c1ncnc(-n2cccn2)c1N
InChIInChI=1S/C15H14ClFN6/c1-22(8-10-3-4-11(16)12(17)7-10)14-13(18)15(20-9-19-14)23-6-2-5-21-23/h2-7,9H,8,18H2,1H3
InChIKeyIGQVXPHUNOBGME-UHFFFAOYSA-N
XLogP2.67
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.77
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-methyl-4-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-6-pyrazol-1-ylpyrimidine-4,5-diamine
CID 71912078
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133431087
1-(4-chloro-3-fluorophenyl)-N-methoxy-N-methylmethanamine
CID 131177038
4-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-6-pyrazol-1-ylpyrimidin-5-amine
CID 133480564
4-N-benzyl-6-[4-(3-chlorophenyl)piperazin-1-yl]-4-N-methylpyrimidine-4,5-diamine
CID 22539526
6-(azepan-1-yl)-4-N-benzyl-4-N-methylpyrimidine-4,5-diamine
CID 22539519
4-N-benzyl-6-N-[(4-fluorophenyl)methyl]-4-N-methylpyrimidine-4,5,6-triamine
CID 22539666
methyl 2-[4-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyrazolo[5,4-d]pyrimidin-1-yl]acetate
CID 133431118
N-[(4-chloro-3-fluorophenyl)methyl]-N,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133410799
4-N-benzyl-6-(2,3-dihydroindol-1-yl)-4-N-methylpyrimidine-4,5-diamine
CID 22539480
N'-[(4-chloro-3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62680595
N-[(3,4-dichlorophenyl)methyl]-N-methyl-6-pyrazol-1-ylpyrazin-2-amine
CID 47053113

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-chloro-3-fluorophenyl)methyl]-4-N-methyl-6-pyrazol-1-ylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-[(4-chloro-3-fluorophenyl)methyl]-4-N-methyl-6-pyrazol-1-ylpyrimidine-4,5-diamine (CID 133431082) is 4-N-[(4-chloro-3-fluorophenyl)methyl]-4-N-methyl-6-pyrazol-1-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[(4-chloro-3-fluorophenyl)methyl]-4-N-methyl-6-pyrazol-1-ylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[(4-chloro-3-fluorophenyl)methyl]-4-N-methyl-6-pyrazol-1-ylpyrimidine-4,5-diamine is CN(Cc1ccc(Cl)c(F)c1)c1ncnc(-n2cccn2)c1N.
What is the InChIKey of 4-N-[(4-chloro-3-fluorophenyl)methyl]-4-N-methyl-6-pyrazol-1-ylpyrimidine-4,5-diamine?
The InChIKey is IGQVXPHUNOBGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN6/c1-22(8-10-3-4-11(16)12(17)7-10)14-13(18)15(20-9-19-14)23-6-2-5-21-23/h2-7,9H,8,18H2,1H3.
What are the key properties of 4-N-[(4-chloro-3-fluorophenyl)methyl]-4-N-methyl-6-pyrazol-1-ylpyrimidine-4,5-diamine?
4-N-[(4-chloro-3-fluorophenyl)methyl]-4-N-methyl-6-pyrazol-1-ylpyrimidine-4,5-diamine has a molecular weight of 332.77 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-chloro-3-fluorophenyl)methyl]-4-N-methyl-6-pyrazol-1-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 133431082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).