5-iodo-2-(1-methoxycyclohexyl)-N-methylpyrimidin-4-amine

C12H18IN3O — CID 116777102

IUPAC5-iodo-2-(1-methoxycyclohexyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(C2(OC)CCCCC2)ncc1I
InChIInChI=1S/C12H18IN3O/c1-14-10-9(13)8-15-11(16-10)12(17-2)6-4-3-5-7-12/h8H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyABPPRYLBJAGIQC-UHFFFAOYSA-N
MW347.20 g/mol
LogP2.93
Rot. Bonds3

About 5-iodo-2-(1-methoxycyclohexyl)-N-methylpyrimidin-4-amine

5-iodo-2-(1-methoxycyclohexyl)-N-methylpyrimidin-4-amine (PubChem CID 116777102) has the molecular formula C12H18IN3O and a molecular weight of 347.20 g/mol. Its IUPAC name is 5-iodo-2-(1-methoxycyclohexyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-(1-methoxycyclohexyl)-N-methylpyrimidin-4-amine
PubChem CID116777102
Molecular FormulaC12H18IN3O
Molecular Weight347.20 g/mol
Exact Mass347.05
IUPAC Name5-iodo-2-(1-methoxycyclohexyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(C2(OC)CCCCC2)ncc1I
InChIInChI=1S/C12H18IN3O/c1-14-10-9(13)8-15-11(16-10)12(17-2)6-4-3-5-7-12/h8H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyABPPRYLBJAGIQC-UHFFFAOYSA-N
XLogP2.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-iodo-2-(1-methoxycyclohexyl)-N-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-iodo-2-(1-methoxycycloheptyl)-N-methylpyrimidin-4-amine
CID 116777114
2-(1-methoxycycloheptyl)-N,5,6-trimethylpyrimidin-4-amine
CID 116776105
5-iodo-2-(1-methoxycyclohexyl)-N-methyl-6-propylpyrimidin-4-amine
CID 116776664
2-(1-ethoxy-4-methylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine
CID 116777104
N-ethyl-5-iodo-2-(1-methoxy-3-methylcyclohexyl)pyrimidin-4-amine
CID 116777128
6-ethyl-5-iodo-2-(1-methoxycyclopentyl)-N-methylpyrimidin-4-amine
CID 113432898
5-bromo-2-(1-methoxycyclopentyl)-N-propylpyrimidin-4-amine
CID 104611761
2-(1-methoxycyclohexyl)-4-methylpyrimidine-5-carboxylic acid
CID 116775071
(1S)-1-[2-(1-methoxycycloheptyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431656
4-chloro-2-(1-ethoxycyclohexyl)-5-iodopyrimidine
CID 116746306
2-(1-methoxycyclobutyl)pyrimidin-5-amine
CID 116705146
5-iodo-N-methyl-2-(4-phenyloxan-4-yl)pyrimidin-4-amine
CID 66304537

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(1-methoxycyclohexyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-iodo-2-(1-methoxycyclohexyl)-N-methylpyrimidin-4-amine (CID 116777102) is 5-iodo-2-(1-methoxycyclohexyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-(1-methoxycyclohexyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-(1-methoxycyclohexyl)-N-methylpyrimidin-4-amine is CNc1nc(C2(OC)CCCCC2)ncc1I.
What is the InChIKey of 5-iodo-2-(1-methoxycyclohexyl)-N-methylpyrimidin-4-amine?
The InChIKey is ABPPRYLBJAGIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN3O/c1-14-10-9(13)8-15-11(16-10)12(17-2)6-4-3-5-7-12/h8H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 5-iodo-2-(1-methoxycyclohexyl)-N-methylpyrimidin-4-amine?
5-iodo-2-(1-methoxycyclohexyl)-N-methylpyrimidin-4-amine has a molecular weight of 347.20 g/mol, XLogP of 2.93, 3 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-methylpyrimidin-4-amine is sourced from PubChem (CID 116777102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).