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

C15H24IN3O — CID 116776664

IUPAC5-iodo-2-(1-methoxycyclohexyl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C2(OC)CCCCC2)nc(NC)c1I
InChIInChI=1S/C15H24IN3O/c1-4-8-11-12(16)13(17-2)19-14(18-11)15(20-3)9-6-5-7-10-15/h4-10H2,1-3H3,(H,17,18,19)
InChIKeyZKAIERTVEFQWPJ-UHFFFAOYSA-N
MW389.28 g/mol
LogP3.88
Rot. Bonds5

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

5-iodo-2-(1-methoxycyclohexyl)-N-methyl-6-propylpyrimidin-4-amine (PubChem CID 116776664) has the molecular formula C15H24IN3O and a molecular weight of 389.28 g/mol. Its IUPAC name is 5-iodo-2-(1-methoxycyclohexyl)-N-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-(1-methoxycyclohexyl)-N-methyl-6-propylpyrimidin-4-amine
PubChem CID116776664
Molecular FormulaC15H24IN3O
Molecular Weight389.28 g/mol
Exact Mass389.10
IUPAC Name5-iodo-2-(1-methoxycyclohexyl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C2(OC)CCCCC2)nc(NC)c1I
InChIInChI=1S/C15H24IN3O/c1-4-8-11-12(16)13(17-2)19-14(18-11)15(20-3)9-6-5-7-10-15/h4-10H2,1-3H3,(H,17,18,19)
InChIKeyZKAIERTVEFQWPJ-UHFFFAOYSA-N
XLogP3.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-methylpyrimidin-4-amine
CID 113432898
6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine
CID 104611744
2-(1-methoxycycloheptyl)-N,5,6-trimethylpyrimidin-4-amine
CID 116776105
5-iodo-2-(1-methoxycyclohexyl)-N-methylpyrimidin-4-amine
CID 116777102
5-iodo-2-(1-methoxycycloheptyl)-N-methylpyrimidin-4-amine
CID 116777114
6-ethyl-2-(1-methoxycyclohexyl)-5-methyl-N-propylpyrimidin-4-amine
CID 116776378
N-ethyl-5-iodo-2-(1-methoxycyclopentyl)-6-propan-2-ylpyrimidin-4-amine
CID 104611750
2-(1-ethoxycycloheptyl)-5-iodo-6-propylpyrimidin-4-amine
CID 116776648
N,6-diethyl-5-iodo-2-(1-methoxy-4-methylcyclohexyl)pyrimidin-4-amine
CID 116776832
5-iodo-2-(3-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine
CID 66306381
2-(1-ethoxycyclopentyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 116776844
[2-(1-methoxycyclopentyl)-4-propylpyrimidin-5-yl]methanamine
CID 114206006

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(1-methoxycyclohexyl)-N-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of 5-iodo-2-(1-methoxycyclohexyl)-N-methyl-6-propylpyrimidin-4-amine (CID 116776664) is 5-iodo-2-(1-methoxycyclohexyl)-N-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-(1-methoxycyclohexyl)-N-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-(1-methoxycyclohexyl)-N-methyl-6-propylpyrimidin-4-amine is CCCc1nc(C2(OC)CCCCC2)nc(NC)c1I.
What is the InChIKey of 5-iodo-2-(1-methoxycyclohexyl)-N-methyl-6-propylpyrimidin-4-amine?
The InChIKey is ZKAIERTVEFQWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24IN3O/c1-4-8-11-12(16)13(17-2)19-14(18-11)15(20-3)9-6-5-7-10-15/h4-10H2,1-3H3,(H,17,18,19).
What are the key properties of 5-iodo-2-(1-methoxycyclohexyl)-N-methyl-6-propylpyrimidin-4-amine?
5-iodo-2-(1-methoxycyclohexyl)-N-methyl-6-propylpyrimidin-4-amine has a molecular weight of 389.28 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(1-methoxycyclohexyl)-N-methyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 116776664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).