N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine

C16H27N3O — CID 116778526

IUPACN-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine
SMILESCCOC1(c2nccc(CNC(C)C)n2)CCCCC1
InChIInChI=1S/C16H27N3O/c1-4-20-16(9-6-5-7-10-16)15-17-11-8-14(19-15)12-18-13(2)3/h8,11,13,18H,4-7,9-10,12H2,1-3H3
InChIKeyOUGFXLFTNUSXNP-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.17
Rot. Bonds6

About N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine

N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine (PubChem CID 116778526) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine
PubChem CID116778526
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine
SMILESCCOC1(c2nccc(CNC(C)C)n2)CCCCC1
InChIInChI=1S/C16H27N3O/c1-4-20-16(9-6-5-7-10-16)15-17-11-8-14(19-15)12-18-13(2)3/h8,11,13,18H,4-7,9-10,12H2,1-3H3
InChIKeyOUGFXLFTNUSXNP-UHFFFAOYSA-N
XLogP3.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(1-methoxycycloheptyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 116778527
1-[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]-N-methylmethanamine
CID 116778481
N-[[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]methyl]ethanamine
CID 116778500
[2-(1-ethoxycyclopentyl)pyrimidin-4-yl]methanol
CID 116778981
2-(1-ethoxycyclopentyl)pyrimidin-4-amine
CID 116775700
[2-(1-ethoxycyclopentyl)pyrimidin-4-yl]hydrazine
CID 116777611
2-(1-ethoxycyclohexyl)-N-propylpyrimidin-4-amine
CID 116776076
N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 116778505
N-[[2-(1-methoxycyclohexyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 116778544
2-(1-ethoxycyclopentyl)-4-propan-2-ylpyrimidin-5-amine
CID 114207193
2-[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-4-yl]ethanamine
CID 116779124
N-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-4-yl]methyl]propan-2-amine
CID 116778533

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine (CID 116778526) is N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine is CCOC1(c2nccc(CNC(C)C)n2)CCCCC1.
What is the InChIKey of N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine?
The InChIKey is OUGFXLFTNUSXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-20-16(9-6-5-7-10-16)15-17-11-8-14(19-15)12-18-13(2)3/h8,11,13,18H,4-7,9-10,12H2,1-3H3.
What are the key properties of N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine?
N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethoxycyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 116778526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).