N-[5-(4-cyclopropyl-2-methyl-2H-pyridin-1-yl)-2-methylphenyl]-3-(7H-purin-6-yl)pyridin-2-amine

C26H25N7 — CID 164905595

IUPACN-[5-(4-cyclopropyl-2-methyl-2H-pyridin-1-yl)-2-methylphenyl]-3-(7H-purin-6-yl)pyridin-2-amine
SMILESCc1ccc(N2C=CC(C3CC3)=CC2C)cc1Nc1ncccc1-c1ncnc2nc[nH]c12
InChIInChI=1S/C26H25N7/c1-16-5-8-20(33-11-9-19(12-17(33)2)18-6-7-18)13-22(16)32-25-21(4-3-10-27-25)23-24-26(30-14-28-23)31-15-29-24/h3-5,8-15,17-18H,6-7H2,1-2H3,(H,27,32)(H,28,29,30,31)
InChIKeyIBGNCJSQNGOQKQ-UHFFFAOYSA-N
MW435.54 g/mol
LogP5.53
Rot. Bonds5

About N-[5-(4-cyclopropyl-2-methyl-2H-pyridin-1-yl)-2-methylphenyl]-3-(7H-purin-6-yl)pyridin-2-amine

N-[5-(4-cyclopropyl-2-methyl-2H-pyridin-1-yl)-2-methylphenyl]-3-(7H-purin-6-yl)pyridin-2-amine (PubChem CID 164905595) has the molecular formula C26H25N7 and a molecular weight of 435.54 g/mol. Its IUPAC name is N-[5-(4-cyclopropyl-2-methyl-2H-pyridin-1-yl)-2-methylphenyl]-3-(7H-purin-6-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[5-(4-cyclopropyl-2-methyl-2H-pyridin-1-yl)-2-methylphenyl]-3-(7H-purin-6-yl)pyridin-2-amine
PubChem CID164905595
Molecular FormulaC26H25N7
Molecular Weight435.54 g/mol
Exact Mass435.22
IUPAC NameN-[5-(4-cyclopropyl-2-methyl-2H-pyridin-1-yl)-2-methylphenyl]-3-(7H-purin-6-yl)pyridin-2-amine
SMILESCc1ccc(N2C=CC(C3CC3)=CC2C)cc1Nc1ncccc1-c1ncnc2nc[nH]c12
InChIInChI=1S/C26H25N7/c1-16-5-8-20(33-11-9-19(12-17(33)2)18-6-7-18)13-22(16)32-25-21(4-3-10-27-25)23-24-26(30-14-28-23)31-15-29-24/h3-5,8-15,17-18H,6-7H2,1-2H3,(H,27,32)(H,28,29,30,31)
InChIKeyIBGNCJSQNGOQKQ-UHFFFAOYSA-N
XLogP5.53
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.54
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-cyclopropyl-2-methyl-2H-pyridin-1-yl)-2-methylphenyl]-3-(7H-purin-6-yl)pyridin-2-amine?
The IUPAC name of N-[5-(4-cyclopropyl-2-methyl-2H-pyridin-1-yl)-2-methylphenyl]-3-(7H-purin-6-yl)pyridin-2-amine (CID 164905595) is N-[5-(4-cyclopropyl-2-methyl-2H-pyridin-1-yl)-2-methylphenyl]-3-(7H-purin-6-yl)pyridin-2-amine.
What is the SMILES notation for N-[5-(4-cyclopropyl-2-methyl-2H-pyridin-1-yl)-2-methylphenyl]-3-(7H-purin-6-yl)pyridin-2-amine?
The canonical SMILES for N-[5-(4-cyclopropyl-2-methyl-2H-pyridin-1-yl)-2-methylphenyl]-3-(7H-purin-6-yl)pyridin-2-amine is Cc1ccc(N2C=CC(C3CC3)=CC2C)cc1Nc1ncccc1-c1ncnc2nc[nH]c12.
What is the InChIKey of N-[5-(4-cyclopropyl-2-methyl-2H-pyridin-1-yl)-2-methylphenyl]-3-(7H-purin-6-yl)pyridin-2-amine?
The InChIKey is IBGNCJSQNGOQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7/c1-16-5-8-20(33-11-9-19(12-17(33)2)18-6-7-18)13-22(16)32-25-21(4-3-10-27-25)23-24-26(30-14-28-23)31-15-29-24/h3-5,8-15,17-18H,6-7H2,1-2H3,(H,27,32)(H,28,29,30,31).
What are the key properties of N-[5-(4-cyclopropyl-2-methyl-2H-pyridin-1-yl)-2-methylphenyl]-3-(7H-purin-6-yl)pyridin-2-amine?
N-[5-(4-cyclopropyl-2-methyl-2H-pyridin-1-yl)-2-methylphenyl]-3-(7H-purin-6-yl)pyridin-2-amine has a molecular weight of 435.54 g/mol, XLogP of 5.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-cyclopropyl-2-methyl-2H-pyridin-1-yl)-2-methylphenyl]-3-(7H-purin-6-yl)pyridin-2-amine is sourced from PubChem (CID 164905595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).