N-(3-chlorophenyl)-4-[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]pyrimidin-2-amine

C21H19ClN6 — CID 11509378

IUPACN-(3-chlorophenyl)-4-[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]pyrimidin-2-amine
SMILESCc1nn(-c2cc(-c3ccnc(Nc4cccc(Cl)c4)n3)ccn2)c(C)c1C
InChIInChI=1S/C21H19ClN6/c1-13-14(2)27-28(15(13)3)20-11-16(7-9-23-20)19-8-10-24-21(26-19)25-18-6-4-5-17(22)12-18/h4-12H,1-3H3,(H,24,25,26)
InChIKeyGVYKTTLLIFVASA-UHFFFAOYSA-N
MW390.88 g/mol
LogP5.05
Rot. Bonds4

About N-(3-chlorophenyl)-4-[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]pyrimidin-2-amine

N-(3-chlorophenyl)-4-[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]pyrimidin-2-amine (PubChem CID 11509378) has the molecular formula C21H19ClN6 and a molecular weight of 390.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]pyrimidin-2-amine
PubChem CID11509378
Molecular FormulaC21H19ClN6
Molecular Weight390.88 g/mol
Exact Mass390.14
IUPAC NameN-(3-chlorophenyl)-4-[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]pyrimidin-2-amine
SMILESCc1nn(-c2cc(-c3ccnc(Nc4cccc(Cl)c4)n3)ccn2)c(C)c1C
InChIInChI=1S/C21H19ClN6/c1-13-14(2)27-28(15(13)3)20-11-16(7-9-23-20)19-8-10-24-21(26-19)25-18-6-4-5-17(22)12-18/h4-12H,1-3H3,(H,24,25,26)
InChIKeyGVYKTTLLIFVASA-UHFFFAOYSA-N
XLogP5.05
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.88
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(aminomethyl)-4-pyridinyl]-N-(3-chlorophenyl)pyrimidin-2-amine
CID 67365498
N-(3-chlorophenyl)-4-(2-ethyl-4-pyridinyl)pyrimidin-2-amine
CID 67364353
1-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethanone
CID 67365361
N-(3-chlorophenyl)-4-[2-(2-propan-2-ylidenehydrazinyl)-4-pyridinyl]pyrimidin-2-amine
CID 142249187
4-(2-chloro-3-methyl-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
CID 24990163
N-(3-chlorophenyl)-4-(3-methylimidazol-4-yl)pyrimidin-2-amine
CID 22273498
4-(2-butan-2-yloxy-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
CID 16746118
sodium;4-(2-chloro-4-pyridinyl)-N-(3-methylphenyl)pyrimidin-2-amine;hydroxide
CID 23720657
1-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethyl acetate
CID 67365198
N-(3-chlorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine
CID 11957767
N-(3-chlorophenyl)-4-(4-methoxy-3-nitrophenyl)pyrimidin-2-amine
CID 10247713
2-[2-[[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]amino]ethyl]guanidine
CID 140967082

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]pyrimidin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-4-[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]pyrimidin-2-amine (CID 11509378) is N-(3-chlorophenyl)-4-[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-4-[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-4-[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]pyrimidin-2-amine is Cc1nn(-c2cc(-c3ccnc(Nc4cccc(Cl)c4)n3)ccn2)c(C)c1C.
What is the InChIKey of N-(3-chlorophenyl)-4-[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]pyrimidin-2-amine?
The InChIKey is GVYKTTLLIFVASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6/c1-13-14(2)27-28(15(13)3)20-11-16(7-9-23-20)19-8-10-24-21(26-19)25-18-6-4-5-17(22)12-18/h4-12H,1-3H3,(H,24,25,26).
What are the key properties of N-(3-chlorophenyl)-4-[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]pyrimidin-2-amine?
N-(3-chlorophenyl)-4-[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]pyrimidin-2-amine has a molecular weight of 390.88 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 11509378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).