N-(cyclobutylmethyl)-5-iodopyrimidin-4-amine

C9H12IN3 — CID 65418018

IUPACN-(cyclobutylmethyl)-5-iodopyrimidin-4-amine
SMILESIc1cncnc1NCC1CCC1
InChIInChI=1S/C9H12IN3/c10-8-5-11-6-13-9(8)12-4-7-2-1-3-7/h5-7H,1-4H2,(H,11,12,13)
InChIKeyUYXAHJCIXJJXHW-UHFFFAOYSA-N
MW289.12 g/mol
LogP2.29
Rot. Bonds3

About N-(cyclobutylmethyl)-5-iodopyrimidin-4-amine

N-(cyclobutylmethyl)-5-iodopyrimidin-4-amine (PubChem CID 65418018) has the molecular formula C9H12IN3 and a molecular weight of 289.12 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-5-iodopyrimidin-4-amine
PubChem CID65418018
Molecular FormulaC9H12IN3
Molecular Weight289.12 g/mol
Exact Mass289.01
IUPAC NameN-(cyclobutylmethyl)-5-iodopyrimidin-4-amine
SMILESIc1cncnc1NCC1CCC1
InChIInChI=1S/C9H12IN3/c10-8-5-11-6-13-9(8)12-4-7-2-1-3-7/h5-7H,1-4H2,(H,11,12,13)
InChIKeyUYXAHJCIXJJXHW-UHFFFAOYSA-N
XLogP2.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(chloromethyl)cyclopentyl]methyl]-5-iodopyrimidin-4-amine
CID 66318483
5-iodo-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107414024
5-bromo-N-(cyclobutylmethyl)pyrimidin-4-amine
CID 66341211
5-iodo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine
CID 104973134
[2-[(5-iodopyrimidin-4-yl)amino]cyclopentyl]methanol
CID 106361969
5-chloro-N-[(4-chlorocyclohexyl)methyl]pyrimidin-4-amine
CID 106126003
5-iodo-N-(3-methylcyclohexyl)pyrimidin-4-amine
CID 65417799
N-(4-ethylcyclohexyl)-5-iodopyrimidin-4-amine
CID 66339901
4-N-(cyclobutylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80783503
4-N-(5-iodopyrimidin-4-yl)cyclohexane-1,4-diamine
CID 66341197
methyl 4-[(3-hydroxycyclohexyl)methylamino]pyrimidine-5-carboxylate
CID 114214881
5-iodo-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 66340148

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-5-iodopyrimidin-4-amine?
The IUPAC name of N-(cyclobutylmethyl)-5-iodopyrimidin-4-amine (CID 65418018) is N-(cyclobutylmethyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for N-(cyclobutylmethyl)-5-iodopyrimidin-4-amine is Ic1cncnc1NCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-5-iodopyrimidin-4-amine?
The InChIKey is UYXAHJCIXJJXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3/c10-8-5-11-6-13-9(8)12-4-7-2-1-3-7/h5-7H,1-4H2,(H,11,12,13).
What are the key properties of N-(cyclobutylmethyl)-5-iodopyrimidin-4-amine?
N-(cyclobutylmethyl)-5-iodopyrimidin-4-amine has a molecular weight of 289.12 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 65418018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).