2-methyl-6-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine

C21H21N3 — CID 127024314

IUPAC2-methyl-6-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
SMILESCc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccccc2)n1
InChIInChI=1S/C21H21N3/c1-15-22-20(17-9-3-2-4-10-17)14-21(23-15)24-19-13-7-11-16-8-5-6-12-18(16)19/h2-6,8-10,12,14,19H,7,11,13H2,1H3,(H,22,23,24)/t19-/m1/s1
InChIKeySGEURMLFTSXZBA-LJQANCHMSA-N
MW315.42 g/mol
LogP4.94
Rot. Bonds3

About 2-methyl-6-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine

2-methyl-6-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine (PubChem CID 127024314) has the molecular formula C21H21N3 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-methyl-6-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
PubChem CID127024314
Molecular FormulaC21H21N3
Molecular Weight315.42 g/mol
Exact Mass315.17
IUPAC Name2-methyl-6-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine
SMILESCc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccccc2)n1
InChIInChI=1S/C21H21N3/c1-15-22-20(17-9-3-2-4-10-17)14-21(23-15)24-19-13-7-11-16-8-5-6-12-18(16)19/h2-6,8-10,12,14,19H,7,11,13H2,1H3,(H,22,23,24)/t19-/m1/s1
InChIKeySGEURMLFTSXZBA-LJQANCHMSA-N
XLogP4.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine (CID 127024314) is 2-methyl-6-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine is Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-6-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine?
The InChIKey is SGEURMLFTSXZBA-LJQANCHMSA-N. The full InChI is InChI=1S/C21H21N3/c1-15-22-20(17-9-3-2-4-10-17)14-21(23-15)24-19-13-7-11-16-8-5-6-12-18(16)19/h2-6,8-10,12,14,19H,7,11,13H2,1H3,(H,22,23,24)/t19-/m1/s1.
What are the key properties of 2-methyl-6-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine?
2-methyl-6-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine has a molecular weight of 315.42 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 127024314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).