N-[[6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine

C18H31N3 — CID 65400572

IUPACN-[[6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)nc(C2CCC(C(C)C)CC2)n1
InChIInChI=1S/C18H31N3/c1-12(2)15-6-8-16(9-7-15)18-20-14(5)10-17(21-18)11-19-13(3)4/h10,12-13,15-16,19H,6-9,11H2,1-5H3
InChIKeyNMTSBNIXUKAANI-UHFFFAOYSA-N
MW289.47 g/mol
LogP4.21
Rot. Bonds5

About N-[[6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine

N-[[6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine (PubChem CID 65400572) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[[6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine
PubChem CID65400572
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[[6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)nc(C2CCC(C(C)C)CC2)n1
InChIInChI=1S/C18H31N3/c1-12(2)15-6-8-16(9-7-15)18-20-14(5)10-17(21-18)11-19-13(3)4/h10,12-13,15-16,19H,6-9,11H2,1-5H3
InChIKeyNMTSBNIXUKAANI-UHFFFAOYSA-N
XLogP4.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine with MolForge

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Related Compounds

4-cyclohexyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 59777341
2,4-Diisobutylamino-6-isopentylpyrimidine
CID 9994500
N2-dimethyl-N2,N4-diisobutyl-(6-isopentyl-pyrimidin-2,4-yl)-diamine
CID 25131214
4-Cyclopentyl-6-piperidin-4-ylpyrimidin-2-amine
CID 118720439
[4-Cycloheptyl-6-(3-piperidin-1-ium-1-ylpropyl)pyrimidin-2-yl]methanimine
CID 72200132
[4,6-Bis-(3-methyl-butyl)-pyrimidin-2-yl]-isobutyl-amine
CID 25128810
N4-methyl-N2,N4-diisobutyl-(6-isopentyl-pyrimidin-2,4-yl)-diamine
CID 25129166
N2,N4,6-triisobutylpyrimidine-2,4-diamine
CID 46880832
4,6-Dimethyl-2-piperidin-3-ylpyrimidine
CID 63317441
N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine
CID 66509808
N-cyclohexyl-2-methyl-6-piperidin-3-ylpyrimidin-4-amine
CID 110271273
N~4~-(azepan-2-ylmethyl)-6-isopropylpyrimidine-2,4-diamine
CID 72845375

Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine (CID 65400572) is N-[[6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine is Cc1cc(CNC(C)C)nc(C2CCC(C(C)C)CC2)n1.
What is the InChIKey of N-[[6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine?
The InChIKey is NMTSBNIXUKAANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-12(2)15-6-8-16(9-7-15)18-20-14(5)10-17(21-18)11-19-13(3)4/h10,12-13,15-16,19H,6-9,11H2,1-5H3.
What are the key properties of N-[[6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine?
N-[[6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine has a molecular weight of 289.47 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 65400572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).