N-cyclohexyl-N-methyl-4-(2-methyl-4-phenylpyrrolidin-1-yl)pyrimidin-2-amine

C22H30N4 — CID 166382768

IUPACN-cyclohexyl-N-methyl-4-(2-methyl-4-phenylpyrrolidin-1-yl)pyrimidin-2-amine
SMILESCC1CC(c2ccccc2)CN1c1ccnc(N(C)C2CCCCC2)n1
InChIInChI=1S/C22H30N4/c1-17-15-19(18-9-5-3-6-10-18)16-26(17)21-13-14-23-22(24-21)25(2)20-11-7-4-8-12-20/h3,5-6,9-10,13-14,17,19-20H,4,7-8,11-12,15-16H2,1-2H3
InChIKeyNRSJXLAJGVHHDF-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.63
Rot. Bonds4

About N-cyclohexyl-N-methyl-4-(2-methyl-4-phenylpyrrolidin-1-yl)pyrimidin-2-amine

N-cyclohexyl-N-methyl-4-(2-methyl-4-phenylpyrrolidin-1-yl)pyrimidin-2-amine (PubChem CID 166382768) has the molecular formula C22H30N4 and a molecular weight of 350.51 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-(2-methyl-4-phenylpyrrolidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-(2-methyl-4-phenylpyrrolidin-1-yl)pyrimidin-2-amine
PubChem CID166382768
Molecular FormulaC22H30N4
Molecular Weight350.51 g/mol
Exact Mass350.25
IUPAC NameN-cyclohexyl-N-methyl-4-(2-methyl-4-phenylpyrrolidin-1-yl)pyrimidin-2-amine
SMILESCC1CC(c2ccccc2)CN1c1ccnc(N(C)C2CCCCC2)n1
InChIInChI=1S/C22H30N4/c1-17-15-19(18-9-5-3-6-10-18)16-26(17)21-13-14-23-22(24-21)25(2)20-11-7-4-8-12-20/h3,5-6,9-10,13-14,17,19-20H,4,7-8,11-12,15-16H2,1-2H3
InChIKeyNRSJXLAJGVHHDF-UHFFFAOYSA-N
XLogP4.63
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-bromophenyl)-2-methylpyrrolidin-1-yl]-N-cyclohexyl-N-methylpyrimidin-2-amine
CID 166382767
4-(2-methyl-4-phenylpyrrolidin-1-yl)-6-piperidin-1-ylpyrimidine
CID 133315928
4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine
CID 166382778
4-[2-[cyclopropyl(methyl)amino]pyrimidin-4-yl]-3-phenylpiperazin-2-one
CID 69101897
4-(4-cyclohexyl-2-methylpyrrolidin-1-yl)-N,N-diethylpyrimidin-2-amine
CID 166382797
2-N,4-N,4-N-trimethyl-2-N-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 171994687
N-cyclohexyl-N-methyl-4-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 166340886
N,N-dimethyl-4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]quinazolin-2-amine
CID 166382766
N-cyclohexyl-N-methyl-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine
CID 141190490
N-methyl-N-phenyl-4-piperidin-1-ylpyrimidin-2-amine
CID 112884516
4-(2-methyl-4-phenylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 133471310
N,N-dimethyl-3-phenylcyclohexan-1-amine;methanamine
CID 142330128

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-(2-methyl-4-phenylpyrrolidin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-cyclohexyl-N-methyl-4-(2-methyl-4-phenylpyrrolidin-1-yl)pyrimidin-2-amine (CID 166382768) is N-cyclohexyl-N-methyl-4-(2-methyl-4-phenylpyrrolidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-(2-methyl-4-phenylpyrrolidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-cyclohexyl-N-methyl-4-(2-methyl-4-phenylpyrrolidin-1-yl)pyrimidin-2-amine is CC1CC(c2ccccc2)CN1c1ccnc(N(C)C2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-(2-methyl-4-phenylpyrrolidin-1-yl)pyrimidin-2-amine?
The InChIKey is NRSJXLAJGVHHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4/c1-17-15-19(18-9-5-3-6-10-18)16-26(17)21-13-14-23-22(24-21)25(2)20-11-7-4-8-12-20/h3,5-6,9-10,13-14,17,19-20H,4,7-8,11-12,15-16H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-4-(2-methyl-4-phenylpyrrolidin-1-yl)pyrimidin-2-amine?
N-cyclohexyl-N-methyl-4-(2-methyl-4-phenylpyrrolidin-1-yl)pyrimidin-2-amine has a molecular weight of 350.51 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-(2-methyl-4-phenylpyrrolidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 166382768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).