2-(1-ethoxycycloheptyl)-5-iodo-6-propylpyrimidin-4-amine

C16H26IN3O — CID 116776648

IUPAC2-(1-ethoxycycloheptyl)-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C2(OCC)CCCCCC2)nc(N)c1I
InChIInChI=1S/C16H26IN3O/c1-3-9-12-13(17)14(18)20-15(19-12)16(21-4-2)10-7-5-6-8-11-16/h3-11H2,1-2H3,(H2,18,19,20)
InChIKeyOHAZNTUDRNHHAV-UHFFFAOYSA-N
MW403.31 g/mol
LogP4.20
Rot. Bonds5

About 2-(1-ethoxycycloheptyl)-5-iodo-6-propylpyrimidin-4-amine

2-(1-ethoxycycloheptyl)-5-iodo-6-propylpyrimidin-4-amine (PubChem CID 116776648) has the molecular formula C16H26IN3O and a molecular weight of 403.31 g/mol. Its IUPAC name is 2-(1-ethoxycycloheptyl)-5-iodo-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethoxycycloheptyl)-5-iodo-6-propylpyrimidin-4-amine
PubChem CID116776648
Molecular FormulaC16H26IN3O
Molecular Weight403.31 g/mol
Exact Mass403.11
IUPAC Name2-(1-ethoxycycloheptyl)-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C2(OCC)CCCCCC2)nc(N)c1I
InChIInChI=1S/C16H26IN3O/c1-3-9-12-13(17)14(18)20-15(19-12)16(21-4-2)10-7-5-6-8-11-16/h3-11H2,1-2H3,(H2,18,19,20)
InChIKeyOHAZNTUDRNHHAV-UHFFFAOYSA-N
XLogP4.20
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 54.20
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-cyclopropyl-2-(1-ethoxycycloheptyl)-5-iodopyrimidin-4-amine
CID 116777204
2-(1-ethoxy-4-methylcyclohexyl)-6-ethyl-5-iodopyrimidin-4-amine
CID 116776795
4-chloro-2-(4-ethoxyoxan-4-yl)-5-iodo-6-propylpyrimidine
CID 116746144
5-bromo-2-(1-ethoxycyclohexyl)-6-propan-2-ylpyrimidin-4-amine
CID 116776851
2-(1-ethoxycyclopentyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 116776844
5-iodo-2-(1-methoxycyclohexyl)-N-methyl-6-propylpyrimidin-4-amine
CID 116776664
[2-(1-ethoxycycloheptyl)-6-propylpyrimidin-4-yl]hydrazine
CID 116777542
4-chloro-2-(1-ethoxycyclohexyl)-6-propylpyrimidine
CID 116745703
4-(1-ethoxycycloheptyl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 116781933
2-[2-(1-ethoxycyclohexyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 116779321
4-amino-2-(1-ethoxycyclohexyl)-5-propyl-1H-pyrimidin-6-one
CID 136960446
ethyl 4-amino-2-(1-ethoxycyclohexyl)pyrimidine-5-carboxylate
CID 116782888

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycycloheptyl)-5-iodo-6-propylpyrimidin-4-amine?
The IUPAC name of 2-(1-ethoxycycloheptyl)-5-iodo-6-propylpyrimidin-4-amine (CID 116776648) is 2-(1-ethoxycycloheptyl)-5-iodo-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethoxycycloheptyl)-5-iodo-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-(1-ethoxycycloheptyl)-5-iodo-6-propylpyrimidin-4-amine is CCCc1nc(C2(OCC)CCCCCC2)nc(N)c1I.
What is the InChIKey of 2-(1-ethoxycycloheptyl)-5-iodo-6-propylpyrimidin-4-amine?
The InChIKey is OHAZNTUDRNHHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26IN3O/c1-3-9-12-13(17)14(18)20-15(19-12)16(21-4-2)10-7-5-6-8-11-16/h3-11H2,1-2H3,(H2,18,19,20).
What are the key properties of 2-(1-ethoxycycloheptyl)-5-iodo-6-propylpyrimidin-4-amine?
2-(1-ethoxycycloheptyl)-5-iodo-6-propylpyrimidin-4-amine has a molecular weight of 403.31 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycycloheptyl)-5-iodo-6-propylpyrimidin-4-amine is sourced from PubChem (CID 116776648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).