6-(3-chlorophenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine

C21H20ClN3 — CID 123894871

IUPAC6-(3-chlorophenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
SMILESCc1nc(NC2CCCc3ccccc32)cc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C21H20ClN3/c1-14-23-20(16-8-4-9-17(22)12-16)13-21(24-14)25-19-11-5-7-15-6-2-3-10-18(15)19/h2-4,6,8-10,12-13,19H,5,7,11H2,1H3,(H,23,24,25)
InChIKeyJYCFYDSSJVCEKH-UHFFFAOYSA-N
MW349.87 g/mol
LogP5.59
Rot. Bonds3

About 6-(3-chlorophenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine

6-(3-chlorophenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine (PubChem CID 123894871) has the molecular formula C21H20ClN3 and a molecular weight of 349.87 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-chlorophenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
PubChem CID123894871
Molecular FormulaC21H20ClN3
Molecular Weight349.87 g/mol
Exact Mass349.13
IUPAC Name6-(3-chlorophenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
SMILESCc1nc(NC2CCCc3ccccc32)cc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C21H20ClN3/c1-14-23-20(16-8-4-9-17(22)12-16)13-21(24-14)25-19-11-5-7-15-6-2-3-10-18(15)19/h2-4,6,8-10,12-13,19H,5,7,11H2,1H3,(H,23,24,25)
InChIKeyJYCFYDSSJVCEKH-UHFFFAOYSA-N
XLogP5.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.87
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
CID 127024314
2-methyl-6-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 123793614
6-(3-amino-4-chlorophenyl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
CID 127034672
6-(1H-indol-6-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 123482750
4-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]benzonitrile
CID 127034668
6-[4-chloro-3-(prop-2-ynylamino)phenyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
CID 127024571
2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 123625262
6-(2-chloro-5-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 123999726
2-[2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenoxy]acetonitrile
CID 127024139
6-(2-fluoro-3-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 123676574
2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 62784380
methyl 2-[6-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]acetate
CID 127035917

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
The IUPAC name of 6-(3-chlorophenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine (CID 123894871) is 6-(3-chlorophenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3-chlorophenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(3-chlorophenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine is Cc1nc(NC2CCCc3ccccc32)cc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 6-(3-chlorophenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
The InChIKey is JYCFYDSSJVCEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3/c1-14-23-20(16-8-4-9-17(22)12-16)13-21(24-14)25-19-11-5-7-15-6-2-3-10-18(15)19/h2-4,6,8-10,12-13,19H,5,7,11H2,1H3,(H,23,24,25).
What are the key properties of 6-(3-chlorophenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
6-(3-chlorophenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine has a molecular weight of 349.87 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 123894871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).