2-(azepan-1-yl)-5-iodopyrimidin-4-amine

C10H15IN4 — CID 66303712

IUPAC2-(azepan-1-yl)-5-iodopyrimidin-4-amine
SMILESNc1nc(N2CCCCCC2)ncc1I
InChIInChI=1S/C10H15IN4/c11-8-7-13-10(14-9(8)12)15-5-3-1-2-4-6-15/h7H,1-6H2,(H2,12,13,14)
InChIKeyTVHJQUAAFDICHW-UHFFFAOYSA-N
MW318.16 g/mol
LogP2.04
Rot. Bonds1

About 2-(azepan-1-yl)-5-iodopyrimidin-4-amine

2-(azepan-1-yl)-5-iodopyrimidin-4-amine (PubChem CID 66303712) has the molecular formula C10H15IN4 and a molecular weight of 318.16 g/mol. Its IUPAC name is 2-(azepan-1-yl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-5-iodopyrimidin-4-amine
PubChem CID66303712
Molecular FormulaC10H15IN4
Molecular Weight318.16 g/mol
Exact Mass318.03
IUPAC Name2-(azepan-1-yl)-5-iodopyrimidin-4-amine
SMILESNc1nc(N2CCCCCC2)ncc1I
InChIInChI=1S/C10H15IN4/c11-8-7-13-10(14-9(8)12)15-5-3-1-2-4-6-15/h7H,1-6H2,(H2,12,13,14)
InChIKeyTVHJQUAAFDICHW-UHFFFAOYSA-N
XLogP2.04
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 52.04
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

5-methoxy-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 84665508
5-(4-fluorophenyl)-2-piperidin-1-ylpyrimidin-4-amine
CID 62901333
5-nitro-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 47204491
ethane;2-piperidin-1-ylpyrimidin-5-amine
CID 166532022
methyl 4-amino-2-piperidin-1-ylpyrimidine-5-carboxylate;hydrochloride
CID 3078702
2-(azepan-1-yl)-5-(4-methylphenyl)sulfonylpyrimidin-4-amine
CID 53490639
4-amino-N-phenyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 53336276
6-tert-butyl-5-iodo-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 66307032
4-amino-N-benzyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 53143942
5-(1-chloroethyl)-4-methyl-2-piperidin-1-ylpyrimidine
CID 62771919
[2-(azepan-1-yl)-4-methylpyrimidin-5-yl]methanamine
CID 83186430
6-cyclopropyl-5-iodo-2-piperidin-1-ylpyrimidin-4-amine
CID 66301951

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-5-iodopyrimidin-4-amine?
The IUPAC name of 2-(azepan-1-yl)-5-iodopyrimidin-4-amine (CID 66303712) is 2-(azepan-1-yl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for 2-(azepan-1-yl)-5-iodopyrimidin-4-amine?
The canonical SMILES for 2-(azepan-1-yl)-5-iodopyrimidin-4-amine is Nc1nc(N2CCCCCC2)ncc1I.
What is the InChIKey of 2-(azepan-1-yl)-5-iodopyrimidin-4-amine?
The InChIKey is TVHJQUAAFDICHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN4/c11-8-7-13-10(14-9(8)12)15-5-3-1-2-4-6-15/h7H,1-6H2,(H2,12,13,14).
What are the key properties of 2-(azepan-1-yl)-5-iodopyrimidin-4-amine?
2-(azepan-1-yl)-5-iodopyrimidin-4-amine has a molecular weight of 318.16 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66303712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).