2-chloro-8-methyl-9-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]purin-6-amine

C19H20ClN7 — CID 175875574

IUPAC2-chloro-8-methyl-9-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]purin-6-amine
SMILESCc1nc2c(NCc3ccccc3-n3cccn3)nc(Cl)nc2n1C(C)C
InChIInChI=1S/C19H20ClN7/c1-12(2)27-13(3)23-16-17(24-19(20)25-18(16)27)21-11-14-7-4-5-8-15(14)26-10-6-9-22-26/h4-10,12H,11H2,1-3H3,(H,21,24,25)
InChIKeyITAUASHTUUKRHW-UHFFFAOYSA-N
MW381.87 g/mol
LogP4.17
Rot. Bonds5

About 2-chloro-8-methyl-9-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]purin-6-amine

2-chloro-8-methyl-9-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]purin-6-amine (PubChem CID 175875574) has the molecular formula C19H20ClN7 and a molecular weight of 381.87 g/mol. Its IUPAC name is 2-chloro-8-methyl-9-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]purin-6-amine.

Molecular Properties

Compound Name2-chloro-8-methyl-9-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]purin-6-amine
PubChem CID175875574
Molecular FormulaC19H20ClN7
Molecular Weight381.87 g/mol
Exact Mass381.15
IUPAC Name2-chloro-8-methyl-9-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]purin-6-amine
SMILESCc1nc2c(NCc3ccccc3-n3cccn3)nc(Cl)nc2n1C(C)C
InChIInChI=1S/C19H20ClN7/c1-12(2)27-13(3)23-16-17(24-19(20)25-18(16)27)21-11-14-7-4-5-8-15(14)26-10-6-9-22-26/h4-10,12H,11H2,1-3H3,(H,21,24,25)
InChIKeyITAUASHTUUKRHW-UHFFFAOYSA-N
XLogP4.17
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-9-propan-2-yl-N-[[2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]purin-6-amine
CID 170164356
2-chloro-N-[[2-[3-(cyclopropylamino)pyrazol-1-yl]phenyl]methyl]-9-propan-2-ylpurin-6-amine
CID 170163307
3-N,3-N-dimethyl-2-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazine-2,3-diamine
CID 134714332
2-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
CID 103756564
3-bromo-5-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-2-amine
CID 114835748
3-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65276920
5-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-2-amine
CID 61166350
N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
CID 61167306
N-[(2-pyrazol-1-ylphenyl)methyl]but-3-yn-2-amine
CID 113482433
N-[(2-pyrazol-1-ylphenyl)methyl]heptan-4-amine
CID 61167489
2-methylsulfonyl-N-[(2-pyrazol-1-ylphenyl)methyl]aniline
CID 133270594
methyl 2-methyl-6-[(2-pyrazol-1-ylphenyl)methylamino]pyridine-3-carboxylate
CID 133391365

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-methyl-9-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]purin-6-amine?
The IUPAC name of 2-chloro-8-methyl-9-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]purin-6-amine (CID 175875574) is 2-chloro-8-methyl-9-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]purin-6-amine.
What is the SMILES notation for 2-chloro-8-methyl-9-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]purin-6-amine?
The canonical SMILES for 2-chloro-8-methyl-9-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]purin-6-amine is Cc1nc2c(NCc3ccccc3-n3cccn3)nc(Cl)nc2n1C(C)C.
What is the InChIKey of 2-chloro-8-methyl-9-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]purin-6-amine?
The InChIKey is ITAUASHTUUKRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN7/c1-12(2)27-13(3)23-16-17(24-19(20)25-18(16)27)21-11-14-7-4-5-8-15(14)26-10-6-9-22-26/h4-10,12H,11H2,1-3H3,(H,21,24,25).
What are the key properties of 2-chloro-8-methyl-9-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]purin-6-amine?
2-chloro-8-methyl-9-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]purin-6-amine has a molecular weight of 381.87 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-methyl-9-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]purin-6-amine is sourced from PubChem (CID 175875574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).