N-[(2-cyclohexyloxy-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine

C16H27N3O — CID 83189345

IUPACN-[(2-cyclohexyloxy-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine
SMILESCc1nc(OC2CCCCC2)ncc1CNCC(C)C
InChIInChI=1S/C16H27N3O/c1-12(2)9-17-10-14-11-18-16(19-13(14)3)20-15-7-5-4-6-8-15/h11-12,15,17H,4-10H2,1-3H3
InChIKeyNZJRTMSOQNULCL-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.24
Rot. Bonds6

About N-[(2-cyclohexyloxy-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine

N-[(2-cyclohexyloxy-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine (PubChem CID 83189345) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(2-cyclohexyloxy-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-cyclohexyloxy-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine
PubChem CID83189345
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[(2-cyclohexyloxy-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine
SMILESCc1nc(OC2CCCCC2)ncc1CNCC(C)C
InChIInChI=1S/C16H27N3O/c1-12(2)9-17-10-14-11-18-16(19-13(14)3)20-15-7-5-4-6-8-15/h11-12,15,17H,4-10H2,1-3H3
InChIKeyNZJRTMSOQNULCL-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methyl]propan-1-amine
CID 83186101
1-(2-cyclohexyloxy-4-methylpyrimidin-5-yl)-N-methylmethanamine
CID 83189189
1-(2-cyclopentyloxy-4-methylpyrimidin-5-yl)-N-methylmethanamine
CID 83189730
(2-cyclohexyloxy-4-methylpyrimidin-5-yl)methanol
CID 83184474
N-[(2-cyclobutyl-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine
CID 114206549
2-methyl-N-[[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methyl]propan-1-amine
CID 83185861
N-[[2-(3-methoxycyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83187646
N-(cyclobutylmethyl)-N-ethyl-4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine
CID 107401794
N-[[2-(2-ethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83186105
5-(chloromethyl)-2-(4,4-dimethylcyclohexyl)oxy-4-methylpyrimidine
CID 114341774
N-methyl-1-[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine
CID 83188969
N-methyl-1-[4-methyl-2-(oxolan-3-yloxy)pyrimidin-5-yl]methanamine
CID 83188779

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclohexyloxy-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(2-cyclohexyloxy-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine (CID 83189345) is N-[(2-cyclohexyloxy-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2-cyclohexyloxy-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(2-cyclohexyloxy-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine is Cc1nc(OC2CCCCC2)ncc1CNCC(C)C.
What is the InChIKey of N-[(2-cyclohexyloxy-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is NZJRTMSOQNULCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)9-17-10-14-11-18-16(19-13(14)3)20-15-7-5-4-6-8-15/h11-12,15,17H,4-10H2,1-3H3.
What are the key properties of N-[(2-cyclohexyloxy-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine?
N-[(2-cyclohexyloxy-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclohexyloxy-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 83189345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).