N-(3-chloro-4-methylphenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine

C14H12ClN5 — CID 2730432

IUPACN-(3-chloro-4-methylphenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2ncnc(-n3cccc3)n2)cc1Cl
InChIInChI=1S/C14H12ClN5/c1-10-4-5-11(8-12(10)15)18-13-16-9-17-14(19-13)20-6-2-3-7-20/h2-9H,1H3,(H,16,17,18,19)
InChIKeySZCVMQNWNKUEKE-UHFFFAOYSA-N
MW285.74 g/mol
LogP3.37
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine

N-(3-chloro-4-methylphenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine (PubChem CID 2730432) has the molecular formula C14H12ClN5 and a molecular weight of 285.74 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine
PubChem CID2730432
Molecular FormulaC14H12ClN5
Molecular Weight285.74 g/mol
Exact Mass285.08
IUPAC NameN-(3-chloro-4-methylphenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2ncnc(-n3cccc3)n2)cc1Cl
InChIInChI=1S/C14H12ClN5/c1-10-4-5-11(8-12(10)15)18-13-16-9-17-14(19-13)20-6-2-3-7-20/h2-9H,1H3,(H,16,17,18,19)
InChIKeySZCVMQNWNKUEKE-UHFFFAOYSA-N
XLogP3.37
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(2,6-dichlorobenzyl)-2-methyl-1H-imidazol-4-yl]pyrimidin-2-amine
CID 2766552
N2-(3,5-dichlorophenyl)-4-(1H-pyrrol-1-yl)-1,3,5-triazin-2-amine
CID 2730357
N-(2-chlorophenyl)-4-(1H-pyrrol-1-yl)-1,3,5-triazin-2-amine
CID 2730361
2,4-Disubstituted Pyrimidine 2i
CID 5329422
2,4-Disubstituted Pyrimidine 2j
CID 5329423
4-(5-chloro-2,4-dimethyl-1H-pyrrol-3-yl)-N-(4-fluorophenyl)pyrimidin-2-amine
CID 6539315
3-(3-Chlorophenyl)-N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl}propan-1-Amine
CID 118656319
4-(2-(4-(2-Aminoethyl)Piperazin-1-Yl)Pyridin-4-Yl)-N-(3-Chloro-4-Methylphenyl)Pyrimidin-2-Amine
CID 656967
1-(3-Chloro-2-methylphenyl)-3-pyridin-2-ylthiourea
CID 800438
4-[4-(1H-pyrrol-1-yl)phenyl]-2-pyrimidinamine
CID 5204874
4-(4-(2-aminopropan-2-yl)phenyl)-5-chloro-N-(4-(2-(pyrrolidin-1-yl)ethyl)phenyl)pyrimidin-2-amine
CID 9910872
N-(4-(1-((6-aminopyridin-2-yl)methyl)-5-(2-chlorophenyl)-1H-pyrrol-2-yl)phenyl)pyrimidin-5-amine
CID 11546946

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine (CID 2730432) is N-(3-chloro-4-methylphenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine is Cc1ccc(Nc2ncnc(-n3cccc3)n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is SZCVMQNWNKUEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5/c1-10-4-5-11(8-12(10)15)18-13-16-9-17-14(19-13)20-6-2-3-7-20/h2-9H,1H3,(H,16,17,18,19).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine?
N-(3-chloro-4-methylphenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 285.74 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 2730432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).