N-(3-chlorophenyl)-4-(2-ethyl-4-pyridinyl)pyrimidin-2-amine

C17H15ClN4 — CID 67364353

IUPACN-(3-chlorophenyl)-4-(2-ethyl-4-pyridinyl)pyrimidin-2-amine
SMILESCCc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1
InChIInChI=1S/C17H15ClN4/c1-2-14-10-12(6-8-19-14)16-7-9-20-17(22-16)21-15-5-3-4-13(18)11-15/h3-11H,2H2,1H3,(H,20,21,22)
InChIKeyXCNNDRBLBXRKLB-UHFFFAOYSA-N
MW310.79 g/mol
LogP4.50
Rot. Bonds4

About N-(3-chlorophenyl)-4-(2-ethyl-4-pyridinyl)pyrimidin-2-amine

N-(3-chlorophenyl)-4-(2-ethyl-4-pyridinyl)pyrimidin-2-amine (PubChem CID 67364353) has the molecular formula C17H15ClN4 and a molecular weight of 310.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(2-ethyl-4-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(2-ethyl-4-pyridinyl)pyrimidin-2-amine
PubChem CID67364353
Molecular FormulaC17H15ClN4
Molecular Weight310.79 g/mol
Exact Mass310.10
IUPAC NameN-(3-chlorophenyl)-4-(2-ethyl-4-pyridinyl)pyrimidin-2-amine
SMILESCCc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1
InChIInChI=1S/C17H15ClN4/c1-2-14-10-12(6-8-19-14)16-7-9-20-17(22-16)21-15-5-3-4-13(18)11-15/h3-11H,2H2,1H3,(H,20,21,22)
InChIKeyXCNNDRBLBXRKLB-UHFFFAOYSA-N
XLogP4.50
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(aminomethyl)-4-pyridinyl]-N-(3-chlorophenyl)pyrimidin-2-amine
CID 67365498
4-(2-butan-2-yloxy-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
CID 16746118
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
N-(3-chlorophenyl)-4-[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]pyrimidin-2-amine
CID 11509378
4-[2-(3-chloroanilino)pyrimidin-4-yl]-N-(1-methoxybutan-2-yl)pyridine-2-carboxamide
CID 25122224
1-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethyl acetate
CID 67365198
4-(2-chloro-3-methyl-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
CID 24990163
2-[2-[[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]amino]ethyl]guanidine
CID 140967082
1-aminopropan-1-ol;4-[2-(3-chloroanilino)pyrimidin-4-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide
CID 19689591
N-(3-chlorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine
CID 11957767
N-(3-chlorophenyl)-4-(3-methylimidazol-4-yl)pyrimidin-2-amine
CID 22273498

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(2-ethyl-4-pyridinyl)pyrimidin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-4-(2-ethyl-4-pyridinyl)pyrimidin-2-amine (CID 67364353) is N-(3-chlorophenyl)-4-(2-ethyl-4-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-4-(2-ethyl-4-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-4-(2-ethyl-4-pyridinyl)pyrimidin-2-amine is CCc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1.
What is the InChIKey of N-(3-chlorophenyl)-4-(2-ethyl-4-pyridinyl)pyrimidin-2-amine?
The InChIKey is XCNNDRBLBXRKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4/c1-2-14-10-12(6-8-19-14)16-7-9-20-17(22-16)21-15-5-3-4-13(18)11-15/h3-11H,2H2,1H3,(H,20,21,22).
What are the key properties of N-(3-chlorophenyl)-4-(2-ethyl-4-pyridinyl)pyrimidin-2-amine?
N-(3-chlorophenyl)-4-(2-ethyl-4-pyridinyl)pyrimidin-2-amine has a molecular weight of 310.79 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(2-ethyl-4-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 67364353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).