2-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine

C17H19FN6 — CID 157013114

IUPAC2-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
SMILESCc1cnc(Nc2cnn(Cc3ccc(F)cc3)c2)nc1N(C)C
InChIInChI=1S/C17H19FN6/c1-12-8-19-17(22-16(12)23(2)3)21-15-9-20-24(11-15)10-13-4-6-14(18)7-5-13/h4-9,11H,10H2,1-3H3,(H,19,21,22)
InChIKeyPBWGJQIHXAJZKO-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.98
Rot. Bonds5

About 2-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine

2-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine (PubChem CID 157013114) has the molecular formula C17H19FN6 and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
PubChem CID157013114
Molecular FormulaC17H19FN6
Molecular Weight326.38 g/mol
Exact Mass326.17
IUPAC Name2-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
SMILESCc1cnc(Nc2cnn(Cc3ccc(F)cc3)c2)nc1N(C)C
InChIInChI=1S/C17H19FN6/c1-12-8-19-17(22-16(12)23(2)3)21-15-9-20-24(11-15)10-13-4-6-14(18)7-5-13/h4-9,11H,10H2,1-3H3,(H,19,21,22)
InChIKeyPBWGJQIHXAJZKO-UHFFFAOYSA-N
XLogP2.98
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine with MolForge

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Related Compounds

N-(1-benzylpyrazol-4-yl)-2-fluoro-5-methylpyrimidin-4-amine
CID 164643893
[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamic acid
CID 69075469
5-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]pyrimidin-2-amine
CID 141287443
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19411730
N-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]-4-methoxypyrimidin-2-amine
CID 166350397
1-benzyl-N-[(4-fluorophenyl)methyl]pyrazol-4-amine
CID 60930766
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19342399
1-(1-benzylpyrazol-4-yl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19342547
4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80777490
1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-propan-2-ylthiourea
CID 19342544
N,N-dimethyl-2-[4-[[5-methyl-4-[(2,3,6-trifluorophenyl)methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide
CID 90023059
2,6-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 1225286

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine (CID 157013114) is 2-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine is Cc1cnc(Nc2cnn(Cc3ccc(F)cc3)c2)nc1N(C)C.
What is the InChIKey of 2-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The InChIKey is PBWGJQIHXAJZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6/c1-12-8-19-17(22-16(12)23(2)3)21-15-9-20-24(11-15)10-13-4-6-14(18)7-5-13/h4-9,11H,10H2,1-3H3,(H,19,21,22).
What are the key properties of 2-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
2-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine has a molecular weight of 326.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 157013114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).