4-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]benzonitrile

C22H20N4 — CID 127034668

IUPAC4-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]benzonitrile
SMILESCc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc(C#N)cc2)n1
InChIInChI=1S/C22H20N4/c1-15-24-21(18-11-9-16(14-23)10-12-18)13-22(25-15)26-20-8-4-6-17-5-2-3-7-19(17)20/h2-3,5,7,9-13,20H,4,6,8H2,1H3,(H,24,25,26)/t20-/m1/s1
InChIKeyOJOKOGJOQYGNRJ-HXUWFJFHSA-N
MW340.43 g/mol
LogP4.81
Rot. Bonds3

About 4-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]benzonitrile

4-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]benzonitrile (PubChem CID 127034668) has the molecular formula C22H20N4 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]benzonitrile
PubChem CID127034668
Molecular FormulaC22H20N4
Molecular Weight340.43 g/mol
Exact Mass340.17
IUPAC Name4-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]benzonitrile
SMILESCc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc(C#N)cc2)n1
InChIInChI=1S/C22H20N4/c1-15-24-21(18-11-9-16(14-23)10-12-18)13-22(25-15)26-20-8-4-6-17-5-2-3-7-19(17)20/h2-3,5,7,9-13,20H,4,6,8H2,1H3,(H,24,25,26)/t20-/m1/s1
InChIKeyOJOKOGJOQYGNRJ-HXUWFJFHSA-N
XLogP4.81
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 123793614
2-methyl-6-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
CID 127024314
2-[2-methyl-5-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenoxy]acetonitrile
CID 127024139
2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 123625262
6-(1H-indol-6-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 123482750
6-(3-chlorophenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 123894871
6-(3-amino-4-chlorophenyl)-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
CID 127034672
6-[4-chloro-3-(prop-2-ynylamino)phenyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
CID 127024571
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
6-(2-chloro-5-methoxyphenyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 123999726

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]benzonitrile?
The IUPAC name of 4-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]benzonitrile (CID 127034668) is 4-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]benzonitrile.
What is the SMILES notation for 4-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]benzonitrile?
The canonical SMILES for 4-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]benzonitrile is Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc(C#N)cc2)n1.
What is the InChIKey of 4-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]benzonitrile?
The InChIKey is OJOKOGJOQYGNRJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H20N4/c1-15-24-21(18-11-9-16(14-23)10-12-18)13-22(25-15)26-20-8-4-6-17-5-2-3-7-19(17)20/h2-3,5,7,9-13,20H,4,6,8H2,1H3,(H,24,25,26)/t20-/m1/s1.
What are the key properties of 4-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]benzonitrile?
4-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]benzonitrile has a molecular weight of 340.43 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]benzonitrile is sourced from PubChem (CID 127034668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).