6-cyclopropyl-2-(1-ethoxycycloheptyl)-5-iodopyrimidin-4-amine

C16H24IN3O — CID 116777204

IUPAC6-cyclopropyl-2-(1-ethoxycycloheptyl)-5-iodopyrimidin-4-amine
SMILESCCOC1(c2nc(N)c(I)c(C3CC3)n2)CCCCCC1
InChIInChI=1S/C16H24IN3O/c1-2-21-16(9-5-3-4-6-10-16)15-19-13(11-7-8-11)12(17)14(18)20-15/h11H,2-10H2,1H3,(H2,18,19,20)
InChIKeyYZHCBVUQPFHPIH-UHFFFAOYSA-N
MW401.29 g/mol
LogP4.13
Rot. Bonds4

About 6-cyclopropyl-2-(1-ethoxycycloheptyl)-5-iodopyrimidin-4-amine

6-cyclopropyl-2-(1-ethoxycycloheptyl)-5-iodopyrimidin-4-amine (PubChem CID 116777204) has the molecular formula C16H24IN3O and a molecular weight of 401.29 g/mol. Its IUPAC name is 6-cyclopropyl-2-(1-ethoxycycloheptyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-(1-ethoxycycloheptyl)-5-iodopyrimidin-4-amine
PubChem CID116777204
Molecular FormulaC16H24IN3O
Molecular Weight401.29 g/mol
Exact Mass401.10
IUPAC Name6-cyclopropyl-2-(1-ethoxycycloheptyl)-5-iodopyrimidin-4-amine
SMILESCCOC1(c2nc(N)c(I)c(C3CC3)n2)CCCCCC1
InChIInChI=1S/C16H24IN3O/c1-2-21-16(9-5-3-4-6-10-16)15-19-13(11-7-8-11)12(17)14(18)20-15/h11H,2-10H2,1H3,(H2,18,19,20)
InChIKeyYZHCBVUQPFHPIH-UHFFFAOYSA-N
XLogP4.13
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.29
LogP ≤ 54.13
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

2-(1-ethoxycycloheptyl)-5-iodo-6-propylpyrimidin-4-amine
CID 116776648
2-(1-ethoxy-4-methylcyclohexyl)-6-ethyl-5-iodopyrimidin-4-amine
CID 116776795
4-chloro-6-cyclopropyl-2-(4-ethoxyoxan-4-yl)-5-iodopyrimidine
CID 116746348
4-cyclopropyl-6-(1-ethoxycyclopentyl)-1,3,5-triazin-2-amine
CID 116781962
6-cyclopropyl-2-(1-ethoxycycloheptyl)pyrimidin-4-amine
CID 116776273
5-bromo-2-(1-ethoxycyclohexyl)-6-propan-2-ylpyrimidin-4-amine
CID 116776851
5-(bromomethyl)-4-cyclopropyl-2-(1-ethoxycyclopentyl)pyrimidine
CID 114205823
4-(1-ethoxycycloheptyl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 116781933
5-bromo-2-(1-ethoxy-4-methylcyclohexyl)-6-ethylpyrimidin-4-amine
CID 116776738
cis-(1S,3R)-3-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323609
4-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 116743337
2-[2-(1-ethoxycyclohexyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 116779321

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(1-ethoxycycloheptyl)-5-iodopyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-(1-ethoxycycloheptyl)-5-iodopyrimidin-4-amine (CID 116777204) is 6-cyclopropyl-2-(1-ethoxycycloheptyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-(1-ethoxycycloheptyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-(1-ethoxycycloheptyl)-5-iodopyrimidin-4-amine is CCOC1(c2nc(N)c(I)c(C3CC3)n2)CCCCCC1.
What is the InChIKey of 6-cyclopropyl-2-(1-ethoxycycloheptyl)-5-iodopyrimidin-4-amine?
The InChIKey is YZHCBVUQPFHPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24IN3O/c1-2-21-16(9-5-3-4-6-10-16)15-19-13(11-7-8-11)12(17)14(18)20-15/h11H,2-10H2,1H3,(H2,18,19,20).
What are the key properties of 6-cyclopropyl-2-(1-ethoxycycloheptyl)-5-iodopyrimidin-4-amine?
6-cyclopropyl-2-(1-ethoxycycloheptyl)-5-iodopyrimidin-4-amine has a molecular weight of 401.29 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(1-ethoxycycloheptyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 116777204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).