N-(4-chlorophenyl)-4-(2-methyl-1H-indol-3-yl)pyrimidin-2-amine

C19H15ClN4 — CID 56659517

IUPACN-(4-chlorophenyl)-4-(2-methyl-1H-indol-3-yl)pyrimidin-2-amine
SMILESCc1[nH]c2ccccc2c1-c1ccnc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H15ClN4/c1-12-18(15-4-2-3-5-16(15)22-12)17-10-11-21-19(24-17)23-14-8-6-13(20)7-9-14/h2-11,22H,1H3,(H,21,23,24)
InChIKeyWSJZCTDJZGZIAP-UHFFFAOYSA-N
MW334.81 g/mol
LogP5.33
Rot. Bonds3

About N-(4-chlorophenyl)-4-(2-methyl-1H-indol-3-yl)pyrimidin-2-amine

N-(4-chlorophenyl)-4-(2-methyl-1H-indol-3-yl)pyrimidin-2-amine (PubChem CID 56659517) has the molecular formula C19H15ClN4 and a molecular weight of 334.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(2-methyl-1H-indol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(2-methyl-1H-indol-3-yl)pyrimidin-2-amine
PubChem CID56659517
Molecular FormulaC19H15ClN4
Molecular Weight334.81 g/mol
Exact Mass334.10
IUPAC NameN-(4-chlorophenyl)-4-(2-methyl-1H-indol-3-yl)pyrimidin-2-amine
SMILESCc1[nH]c2ccccc2c1-c1ccnc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H15ClN4/c1-12-18(15-4-2-3-5-16(15)22-12)17-10-11-21-19(24-17)23-14-8-6-13(20)7-9-14/h2-11,22H,1H3,(H,21,23,24)
InChIKeyWSJZCTDJZGZIAP-UHFFFAOYSA-N
XLogP5.33
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.81
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(2-methyl-1H-indol-3-yl)pyrimidin-2-amine?
The IUPAC name of N-(4-chlorophenyl)-4-(2-methyl-1H-indol-3-yl)pyrimidin-2-amine (CID 56659517) is N-(4-chlorophenyl)-4-(2-methyl-1H-indol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-(2-methyl-1H-indol-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-(2-methyl-1H-indol-3-yl)pyrimidin-2-amine is Cc1[nH]c2ccccc2c1-c1ccnc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of N-(4-chlorophenyl)-4-(2-methyl-1H-indol-3-yl)pyrimidin-2-amine?
The InChIKey is WSJZCTDJZGZIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4/c1-12-18(15-4-2-3-5-16(15)22-12)17-10-11-21-19(24-17)23-14-8-6-13(20)7-9-14/h2-11,22H,1H3,(H,21,23,24).
What are the key properties of N-(4-chlorophenyl)-4-(2-methyl-1H-indol-3-yl)pyrimidin-2-amine?
N-(4-chlorophenyl)-4-(2-methyl-1H-indol-3-yl)pyrimidin-2-amine has a molecular weight of 334.81 g/mol, XLogP of 5.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(2-methyl-1H-indol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 56659517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).