N-[[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine

C17H29N3 — CID 65415249

IUPACN-[[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine
SMILESCCC1CCCC(c2nc(C)cc(CNC(C)C)n2)C1
InChIInChI=1S/C17H29N3/c1-5-14-7-6-8-15(10-14)17-19-13(4)9-16(20-17)11-18-12(2)3/h9,12,14-15,18H,5-8,10-11H2,1-4H3
InChIKeyPEVQSSRXKHUPLL-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.97
Rot. Bonds5

About N-[[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine

N-[[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine (PubChem CID 65415249) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine
PubChem CID65415249
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine
SMILESCCC1CCCC(c2nc(C)cc(CNC(C)C)n2)C1
InChIInChI=1S/C17H29N3/c1-5-14-7-6-8-15(10-14)17-19-13(4)9-16(20-17)11-18-12(2)3/h9,12,14-15,18H,5-8,10-11H2,1-4H3
InChIKeyPEVQSSRXKHUPLL-UHFFFAOYSA-N
XLogP3.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine (CID 65415249) is N-[[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine is CCC1CCCC(c2nc(C)cc(CNC(C)C)n2)C1.
What is the InChIKey of N-[[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine?
The InChIKey is PEVQSSRXKHUPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-14-7-6-8-15(10-14)17-19-13(4)9-16(20-17)11-18-12(2)3/h9,12,14-15,18H,5-8,10-11H2,1-4H3.
What are the key properties of N-[[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine?
N-[[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 65415249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).