2-[cyclohexyl(methoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine

C17H29N3O — CID 116775882

IUPAC2-[cyclohexyl(methoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCC)nc(C(OC)C2CCCCC2)n1
InChIInChI=1S/C17H29N3O/c1-4-9-14-12-15(18-5-2)20-17(19-14)16(21-3)13-10-7-6-8-11-13/h12-13,16H,4-11H2,1-3H3,(H,18,19,20)
InChIKeyHZNRXGBRUIKGHM-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.13
Rot. Bonds7

About 2-[cyclohexyl(methoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine

2-[cyclohexyl(methoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine (PubChem CID 116775882) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[cyclohexyl(methoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[cyclohexyl(methoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine
PubChem CID116775882
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[cyclohexyl(methoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCC)nc(C(OC)C2CCCCC2)n1
InChIInChI=1S/C17H29N3O/c1-4-9-14-12-15(18-5-2)20-17(19-14)16(21-3)13-10-7-6-8-11-13/h12-13,16H,4-11H2,1-3H3,(H,18,19,20)
InChIKeyHZNRXGBRUIKGHM-UHFFFAOYSA-N
XLogP4.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(ethoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine
CID 116728820
2-cyclooctyl-N-ethyl-6-propylpyrimidin-4-amine
CID 80609287
N-ethyl-2-propan-2-yl-6-propylpyrimidin-4-amine
CID 62192677
2-[cyclohexyl(methoxy)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 116776109
[6-tert-butyl-2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]hydrazine
CID 116777556
N-[[2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]propan-2-amine
CID 116778665
N,6-diethyl-2-(1-methoxyethyl)pyrimidin-4-amine
CID 79616612
2-cyclooctyl-N,6-diethylpyrimidin-4-amine
CID 80609911
4-N-(cyclohexylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967492
2-[cyclohexyl(methoxy)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475262
4,6-dichloro-2-[cyclohexyl(methoxy)methyl]-5-ethylpyrimidine
CID 116745974
3-[cyclohexyl(methoxy)methyl]-N-propyl-1,2,4-thiadiazol-5-amine
CID 116782306

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine?
The IUPAC name of 2-[cyclohexyl(methoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine (CID 116775882) is 2-[cyclohexyl(methoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[cyclohexyl(methoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-[cyclohexyl(methoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine is CCCc1cc(NCC)nc(C(OC)C2CCCCC2)n1.
What is the InChIKey of 2-[cyclohexyl(methoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine?
The InChIKey is HZNRXGBRUIKGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-9-14-12-15(18-5-2)20-17(19-14)16(21-3)13-10-7-6-8-11-13/h12-13,16H,4-11H2,1-3H3,(H,18,19,20).
What are the key properties of 2-[cyclohexyl(methoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine?
2-[cyclohexyl(methoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 116775882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).