N-[2-[4,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-5-yl]ethyl]propan-1-amine

C18H31N3 — CID 62746343

IUPACN-[2-[4,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-5-yl]ethyl]propan-1-amine
SMILESCCCNCCc1c(C)nc(C2CCCC(C)C2)nc1C
InChIInChI=1S/C18H31N3/c1-5-10-19-11-9-17-14(3)20-18(21-15(17)4)16-8-6-7-13(2)12-16/h13,16,19H,5-12H2,1-4H3
InChIKeyKRKDSIBTFVZNPT-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.93
Rot. Bonds6

About N-[2-[4,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-5-yl]ethyl]propan-1-amine

N-[2-[4,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-5-yl]ethyl]propan-1-amine (PubChem CID 62746343) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[2-[4,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[4,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-5-yl]ethyl]propan-1-amine
PubChem CID62746343
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[2-[4,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-5-yl]ethyl]propan-1-amine
SMILESCCCNCCc1c(C)nc(C2CCCC(C)C2)nc1C
InChIInChI=1S/C18H31N3/c1-5-10-19-11-9-17-14(3)20-18(21-15(17)4)16-8-6-7-13(2)12-16/h13,16,19H,5-12H2,1-4H3
InChIKeyKRKDSIBTFVZNPT-UHFFFAOYSA-N
XLogP3.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4,6-dimethyl-2-(oxolan-3-yl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 65329770
4,6-dichloro-2-(3-methylcyclohexyl)-5-propylpyrimidine
CID 63611823
N-[2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethyl]propan-1-amine
CID 79219154
N-[2-(4,6-dimethyl-2-propylpyrimidin-5-yl)ethyl]propan-1-amine
CID 62745813
N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]cyclopropanamine
CID 65399429
3-(2-cyclobutyl-4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
CID 64985851
N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine
CID 65399366
5-bromo-N,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-4-amine
CID 66307658
N-[[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65334784
N-[2-[4,6-dimethyl-2-(oxolan-2-ylmethyl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 62745109
4,6-dichloro-5-methyl-2-(3-methylcyclohexyl)pyrimidine
CID 63611976
N-[3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)propyl]cyclopropanamine
CID 62745618

Frequently Asked Questions

What is the IUPAC name of N-[2-[4,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[4,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-5-yl]ethyl]propan-1-amine (CID 62746343) is N-[2-[4,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[4,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[4,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-5-yl]ethyl]propan-1-amine is CCCNCCc1c(C)nc(C2CCCC(C)C2)nc1C.
What is the InChIKey of N-[2-[4,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-5-yl]ethyl]propan-1-amine?
The InChIKey is KRKDSIBTFVZNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-10-19-11-9-17-14(3)20-18(21-15(17)4)16-8-6-7-13(2)12-16/h13,16,19H,5-12H2,1-4H3.
What are the key properties of N-[2-[4,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-5-yl]ethyl]propan-1-amine?
N-[2-[4,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-5-yl]ethyl]propan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 62746343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).