N-[[2-(4-ethylcyclohexyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine

C17H29N3 — CID 65389946

IUPACN-[[2-(4-ethylcyclohexyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCC(c2nccc(CNC(C)(C)C)n2)CC1
InChIInChI=1S/C17H29N3/c1-5-13-6-8-14(9-7-13)16-18-11-10-15(20-16)12-19-17(2,3)4/h10-11,13-14,19H,5-9,12H2,1-4H3
InChIKeyYWYRWAWCNISTRT-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.05
Rot. Bonds4

About N-[[2-(4-ethylcyclohexyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine

N-[[2-(4-ethylcyclohexyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 65389946) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[2-(4-ethylcyclohexyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-ethylcyclohexyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID65389946
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[[2-(4-ethylcyclohexyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCC(c2nccc(CNC(C)(C)C)n2)CC1
InChIInChI=1S/C17H29N3/c1-5-13-6-8-14(9-7-13)16-18-11-10-15(20-16)12-19-17(2,3)4/h10-11,13-14,19H,5-9,12H2,1-4H3
InChIKeyYWYRWAWCNISTRT-UHFFFAOYSA-N
XLogP4.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine
CID 65391328
2-methoxy-N-[[2-(4-propylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine
CID 65403205
1-(2-cyclobutylpyrimidin-4-yl)-N-methylmethanamine
CID 64985841
2-[2-(3-ethylcyclopentyl)pyrimidin-4-yl]ethanamine
CID 65403501
1-(2-cyclohexylpyrimidin-4-yl)-N-methylmethanamine
CID 62747376
N-methyl-1-[2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methanamine
CID 65402198
4-(4-propylpyrimidin-2-yl)cyclohexan-1-amine
CID 116899107
N-[[2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65402599
2-cyclododecyl-4-ethylpyrimidine
CID 134492338
N-[(2-cyclohexylpyrimidin-4-yl)methyl]cyclopropanamine
CID 55114202
6-ethyl-2-(4-ethylcyclohexyl)-N-propylpyrimidin-4-amine
CID 65390933
N-ethyl-2-(3-ethylcyclohexyl)pyrimidin-4-amine
CID 65413212

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethylcyclohexyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(4-ethylcyclohexyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine (CID 65389946) is N-[[2-(4-ethylcyclohexyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(4-ethylcyclohexyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(4-ethylcyclohexyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine is CCC1CCC(c2nccc(CNC(C)(C)C)n2)CC1.
What is the InChIKey of N-[[2-(4-ethylcyclohexyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is YWYRWAWCNISTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-13-6-8-14(9-7-13)16-18-11-10-15(20-16)12-19-17(2,3)4/h10-11,13-14,19H,5-9,12H2,1-4H3.
What are the key properties of N-[[2-(4-ethylcyclohexyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(4-ethylcyclohexyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethylcyclohexyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65389946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).