N-[[2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]propan-2-amine

C17H29N3O — CID 116778665

IUPACN-[[2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]propan-2-amine
SMILESCOC(c1nc(C)cc(CNC(C)C)n1)C1CCCCC1
InChIInChI=1S/C17H29N3O/c1-12(2)18-11-15-10-13(3)19-17(20-15)16(21-4)14-8-6-5-7-9-14/h10,12,14,16,18H,5-9,11H2,1-4H3
InChIKeyLQOXBMLHPMQTDK-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.55
Rot. Bonds6

About N-[[2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]propan-2-amine

N-[[2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]propan-2-amine (PubChem CID 116778665) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]propan-2-amine
PubChem CID116778665
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[[2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]propan-2-amine
SMILESCOC(c1nc(C)cc(CNC(C)C)n1)C1CCCCC1
InChIInChI=1S/C17H29N3O/c1-12(2)18-11-15-10-13(3)19-17(20-15)16(21-4)14-8-6-5-7-9-14/h10,12,14,16,18H,5-9,11H2,1-4H3
InChIKeyLQOXBMLHPMQTDK-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[cyclopropyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 116731176
2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-amine
CID 116775559
2-[cyclohexyl(methoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine
CID 116775882
N-[[6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65400572
N-[[2-(cyclohexylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]propan-2-amine
CID 65144269
N-[[2-[cyclohexyl(ethoxy)methyl]pyrimidin-4-yl]methyl]propan-2-amine
CID 116778533
N-[[2-(cyclopropylmethoxy)-6-methylpyrimidin-4-yl]methyl]propan-2-amine
CID 114221213
N-[[2-[cyclopropyl(methoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116727916
1-[2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]propan-2-amine
CID 116779150
N-[[2-[cyclopropyl(methoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116730560
N-[[2-[cyclohexyl(ethoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116774768
2-[cyclohexyl(methoxy)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 116776109

Frequently Asked Questions

What is the IUPAC name of N-[[2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]propan-2-amine (CID 116778665) is N-[[2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]propan-2-amine is COC(c1nc(C)cc(CNC(C)C)n1)C1CCCCC1.
What is the InChIKey of N-[[2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]propan-2-amine?
The InChIKey is LQOXBMLHPMQTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-12(2)18-11-15-10-13(3)19-17(20-15)16(21-4)14-8-6-5-7-9-14/h10,12,14,16,18H,5-9,11H2,1-4H3.
What are the key properties of N-[[2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]propan-2-amine?
N-[[2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]propan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 116778665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).