2-methyl-N-[[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methyl]propan-1-amine

C17H29N3O — CID 83186101

IUPAC2-methyl-N-[[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methyl]propan-1-amine
SMILESCc1nc(OC2CCCCC2C)ncc1CNCC(C)C
InChIInChI=1S/C17H29N3O/c1-12(2)9-18-10-15-11-19-17(20-14(15)4)21-16-8-6-5-7-13(16)3/h11-13,16,18H,5-10H2,1-4H3
InChIKeyXJEFIJJGCKVGPD-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.49
Rot. Bonds6

About 2-methyl-N-[[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methyl]propan-1-amine

2-methyl-N-[[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methyl]propan-1-amine (PubChem CID 83186101) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-methyl-N-[[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methyl]propan-1-amine
PubChem CID83186101
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-methyl-N-[[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methyl]propan-1-amine
SMILESCc1nc(OC2CCCCC2C)ncc1CNCC(C)C
InChIInChI=1S/C17H29N3O/c1-12(2)9-18-10-15-11-19-17(20-14(15)4)21-16-8-6-5-7-13(16)3/h11-13,16,18H,5-10H2,1-4H3
InChIKeyXJEFIJJGCKVGPD-UHFFFAOYSA-N
XLogP3.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-cyclohexyloxy-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine
CID 83189345
N-methyl-1-[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine
CID 83188969
[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methanamine
CID 83189352
N-[[5-bromo-2-(2-methylcyclohexyl)oxy-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63489661
N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927656
2-methyl-N-[[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methyl]propan-1-amine
CID 83185861
N-[[2-(2-ethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83186105
N-[(2-cyclobutyl-4-methylpyrimidin-5-yl)methyl]-2-methylpropan-1-amine
CID 114206549
N-cyclopropyl-4-methyl-5-[(2-methylpropylamino)methyl]-N-propylpyrimidin-2-amine
CID 83185783
1-(2-cyclopentyloxy-4-methylpyrimidin-5-yl)-N-methylmethanamine
CID 83189730
1-(2-cyclohexyloxy-4-methylpyrimidin-5-yl)-N-methylmethanamine
CID 83189189
N-(cyclobutylmethyl)-N-ethyl-4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine
CID 107401794

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methyl]propan-1-amine (CID 83186101) is 2-methyl-N-[[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methyl]propan-1-amine is Cc1nc(OC2CCCCC2C)ncc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methyl]propan-1-amine?
The InChIKey is XJEFIJJGCKVGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-12(2)9-18-10-15-11-19-17(20-14(15)4)21-16-8-6-5-7-13(16)3/h11-13,16,18H,5-10H2,1-4H3.
What are the key properties of 2-methyl-N-[[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methyl]propan-1-amine?
2-methyl-N-[[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-methyl-2-(2-methylcyclohexyl)oxypyrimidin-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 83186101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).