6-ethyl-2-(1-methoxycyclohexyl)-5-methyl-N-propylpyrimidin-4-amine

C17H29N3O — CID 116776378

IUPAC6-ethyl-2-(1-methoxycyclohexyl)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2(OC)CCCCC2)nc(CC)c1C
InChIInChI=1S/C17H29N3O/c1-5-12-18-15-13(3)14(6-2)19-16(20-15)17(21-4)10-8-7-9-11-17/h5-12H2,1-4H3,(H,18,19,20)
InChIKeyVBBPZUZTCXOEOQ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.98
Rot. Bonds6

About 6-ethyl-2-(1-methoxycyclohexyl)-5-methyl-N-propylpyrimidin-4-amine

6-ethyl-2-(1-methoxycyclohexyl)-5-methyl-N-propylpyrimidin-4-amine (PubChem CID 116776378) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 6-ethyl-2-(1-methoxycyclohexyl)-5-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-(1-methoxycyclohexyl)-5-methyl-N-propylpyrimidin-4-amine
PubChem CID116776378
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name6-ethyl-2-(1-methoxycyclohexyl)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2(OC)CCCCC2)nc(CC)c1C
InChIInChI=1S/C17H29N3O/c1-5-12-18-15-13(3)14(6-2)19-16(20-15)17(21-4)10-8-7-9-11-17/h5-12H2,1-4H3,(H,18,19,20)
InChIKeyVBBPZUZTCXOEOQ-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methoxycyclopentyl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 104611698
6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine
CID 104611744
5-bromo-2-(1-methoxycycloheptyl)-6-methyl-N-propylpyrimidin-4-amine
CID 116776525
6-ethyl-2-(1-methoxycyclohexyl)-5-methylpyrimidin-4-amine
CID 116776328
2-(1-ethoxycyclopentyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 116776844
2-(1-methoxycyclopentyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 104611784
6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-methylpyrimidin-4-amine
CID 113432898
5-bromo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine
CID 104611761
N-ethyl-5-fluoro-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine
CID 116776421
2-(1-ethoxycyclohexyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 116776442
5-iodo-2-(1-methoxycyclohexyl)-N-methyl-6-propylpyrimidin-4-amine
CID 116776664
2-(1-methoxycycloheptyl)-N,5,6-trimethylpyrimidin-4-amine
CID 116776105

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(1-methoxycyclohexyl)-5-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-(1-methoxycyclohexyl)-5-methyl-N-propylpyrimidin-4-amine (CID 116776378) is 6-ethyl-2-(1-methoxycyclohexyl)-5-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-(1-methoxycyclohexyl)-5-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-(1-methoxycyclohexyl)-5-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(C2(OC)CCCCC2)nc(CC)c1C.
What is the InChIKey of 6-ethyl-2-(1-methoxycyclohexyl)-5-methyl-N-propylpyrimidin-4-amine?
The InChIKey is VBBPZUZTCXOEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-5-12-18-15-13(3)14(6-2)19-16(20-15)17(21-4)10-8-7-9-11-17/h5-12H2,1-4H3,(H,18,19,20).
What are the key properties of 6-ethyl-2-(1-methoxycyclohexyl)-5-methyl-N-propylpyrimidin-4-amine?
6-ethyl-2-(1-methoxycyclohexyl)-5-methyl-N-propylpyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(1-methoxycyclohexyl)-5-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 116776378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).