2-N-cyclohexyl-5,5,6,6-tetramethyl-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine

C22H34N4 — CID 130473377

IUPAC2-N-cyclohexyl-5,5,6,6-tetramethyl-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine
SMILESC[C@@H](c1ccccc1)N(C1=NC(C)(C)C(C)(C)C(N)=N1)C1CCCCC1
InChIInChI=1S/C22H34N4/c1-16(17-12-8-6-9-13-17)26(18-14-10-7-11-15-18)20-24-19(23)21(2,3)22(4,5)25-20/h6,8-9,12-13,16,18H,7,10-11,14-15H2,1-5H3,(H2,23,24,25)/t16-/m0/s1
InChIKeyNKSFFFATOJQQQR-INIZCTEOSA-N
MW354.54 g/mol
LogP4.91
Rot. Bonds3

About 2-N-cyclohexyl-5,5,6,6-tetramethyl-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine

2-N-cyclohexyl-5,5,6,6-tetramethyl-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine (PubChem CID 130473377) has the molecular formula C22H34N4 and a molecular weight of 354.54 g/mol. Its IUPAC name is 2-N-cyclohexyl-5,5,6,6-tetramethyl-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-5,5,6,6-tetramethyl-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine
PubChem CID130473377
Molecular FormulaC22H34N4
Molecular Weight354.54 g/mol
Exact Mass354.28
IUPAC Name2-N-cyclohexyl-5,5,6,6-tetramethyl-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine
SMILESC[C@@H](c1ccccc1)N(C1=NC(C)(C)C(C)(C)C(N)=N1)C1CCCCC1
InChIInChI=1S/C22H34N4/c1-16(17-12-8-6-9-13-17)26(18-14-10-7-11-15-18)20-24-19(23)21(2,3)22(4,5)25-20/h6,8-9,12-13,16,18H,7,10-11,14-15H2,1-5H3,(H2,23,24,25)/t16-/m0/s1
InChIKeyNKSFFFATOJQQQR-INIZCTEOSA-N
XLogP4.91
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-cyclohexyl-5,5,6,6-tetramethyl-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

N-methyl-N-[(1R)-1-phenylethyl]cyclohexanamine
CID 68742462
3-[cycloheptyl(1-phenylethyl)amino]propanoic acid
CID 82328438
N,N-dibenzhydrylcyclohexanamine
CID 139723956
[(1S)-1-cyclopentylethyl]benzene
CID 102346711
1-cyclobutylethylbenzene
CID 22024745
N'-cyclohexyl-N-(3,3-diphenylpropyl)-N'-methylethane-1,2-diamine
CID 59728996
N'-cyclopentyl-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62618384
N-(3-methylcyclohexyl)-N-(1-phenylethyl)thiohydroxylamine
CID 144897282
N-cyclopentyl-N-methyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62417209
N-(cyclopentylmethyl)-N-methyl-1-phenylethanamine
CID 78880741
cyclohexanecarboxylic acid;(1R)-1-phenylethanamine
CID 129012028
4-[4-[cyclohexyl(methyl)amino]butan-2-yl]aniline
CID 104501405

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-5,5,6,6-tetramethyl-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclohexyl-5,5,6,6-tetramethyl-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine (CID 130473377) is 2-N-cyclohexyl-5,5,6,6-tetramethyl-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclohexyl-5,5,6,6-tetramethyl-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclohexyl-5,5,6,6-tetramethyl-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine is C[C@@H](c1ccccc1)N(C1=NC(C)(C)C(C)(C)C(N)=N1)C1CCCCC1.
What is the InChIKey of 2-N-cyclohexyl-5,5,6,6-tetramethyl-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine?
The InChIKey is NKSFFFATOJQQQR-INIZCTEOSA-N. The full InChI is InChI=1S/C22H34N4/c1-16(17-12-8-6-9-13-17)26(18-14-10-7-11-15-18)20-24-19(23)21(2,3)22(4,5)25-20/h6,8-9,12-13,16,18H,7,10-11,14-15H2,1-5H3,(H2,23,24,25)/t16-/m0/s1.
What are the key properties of 2-N-cyclohexyl-5,5,6,6-tetramethyl-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine?
2-N-cyclohexyl-5,5,6,6-tetramethyl-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine has a molecular weight of 354.54 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-5,5,6,6-tetramethyl-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 130473377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).