4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine

C19H24ClN7 — CID 46974204

IUPAC4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCCn1cc(-c2cc(NCC(c3ccccc3Cl)N(C)C)nc(N)n2)cn1
InChIInChI=1S/C19H24ClN7/c1-4-27-12-13(10-23-27)16-9-18(25-19(21)24-16)22-11-17(26(2)3)14-7-5-6-8-15(14)20/h5-10,12,17H,4,11H2,1-3H3,(H3,21,22,24,25)
InChIKeyDSXIKZVMBRLMMQ-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.31
Rot. Bonds7

About 4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine

4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine (PubChem CID 46974204) has the molecular formula C19H24ClN7 and a molecular weight of 385.90 g/mol. Its IUPAC name is 4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine
PubChem CID46974204
Molecular FormulaC19H24ClN7
Molecular Weight385.90 g/mol
Exact Mass385.18
IUPAC Name4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine
SMILESCCn1cc(-c2cc(NCC(c3ccccc3Cl)N(C)C)nc(N)n2)cn1
InChIInChI=1S/C19H24ClN7/c1-4-27-12-13(10-23-27)16-9-18(25-19(21)24-16)22-11-17(26(2)3)14-7-5-6-8-15(14)20/h5-10,12,17H,4,11H2,1-3H3,(H3,21,22,24,25)
InChIKeyDSXIKZVMBRLMMQ-UHFFFAOYSA-N
XLogP3.31
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 42943706
6-(1-ethylpyrazol-4-yl)-4-N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrimidine-2,4-diamine
CID 92627903
6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 106878454
2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]pyrido[1,2-a]pyrimidin-4-one
CID 166197919
4-N-[2-amino-2-(2,3-dichlorophenyl)ethyl]-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidine-2,4-diamine
CID 171803213
6-N-[2-[(2-amino-6-phenylpyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 71681479
1-[2-chloro-4-(1-ethylpyrazol-4-yl)phenyl]ethanamine
CID 82783612
ethyl 6-[[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]pyridine-3-carboxylate
CID 31536134
N-[2-[[2-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-1-(2,3-dichlorophenyl)ethyl]acetamide
CID 171803207
(1S)-1-(2-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 81378018
2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide
CID 7017788
3-chloro-4-(1-ethylpyrazol-4-yl)aniline
CID 107615727

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine (CID 46974204) is 4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine is CCn1cc(-c2cc(NCC(c3ccccc3Cl)N(C)C)nc(N)n2)cn1.
What is the InChIKey of 4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine?
The InChIKey is DSXIKZVMBRLMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN7/c1-4-27-12-13(10-23-27)16-9-18(25-19(21)24-16)22-11-17(26(2)3)14-7-5-6-8-15(14)20/h5-10,12,17H,4,11H2,1-3H3,(H3,21,22,24,25).
What are the key properties of 4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine?
4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine has a molecular weight of 385.90 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-6-(1-ethylpyrazol-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 46974204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).