5-iodo-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine

C9H10IN5 — CID 66342594

IUPAC5-iodo-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
SMILESCn1ccnc1CNc1ncncc1I
InChIInChI=1S/C9H10IN5/c1-15-3-2-12-8(15)5-13-9-7(10)4-11-6-14-9/h2-4,6H,5H2,1H3,(H,11,13,14)
InChIKeyVPIVYJQEBCVOSR-UHFFFAOYSA-N
MW315.12 g/mol
LogP1.43
Rot. Bonds3

About 5-iodo-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine

5-iodo-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 66342594) has the molecular formula C9H10IN5 and a molecular weight of 315.12 g/mol. Its IUPAC name is 5-iodo-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID66342594
Molecular FormulaC9H10IN5
Molecular Weight315.12 g/mol
Exact Mass315.00
IUPAC Name5-iodo-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
SMILESCn1ccnc1CNc1ncncc1I
InChIInChI=1S/C9H10IN5/c1-15-3-2-12-8(15)5-13-9-7(10)4-11-6-14-9/h2-4,6H,5H2,1H3,(H,11,13,14)
InChIKeyVPIVYJQEBCVOSR-UHFFFAOYSA-N
XLogP1.43
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.12
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazin-2-amine
CID 83062959
6-chloro-N-[(1-methylimidazol-2-yl)methyl]pyrazin-2-amine
CID 63294100
1,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 110431951
5-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63295615
5-bromo-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine
CID 63293701
5-bromo-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 104924181
5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carbonitrile
CID 103468425
6-methoxy-N-[(1-methylimidazol-2-yl)methyl]pyrazin-2-amine
CID 155403130
5-iodo-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine
CID 66341453
3-[(1-methylimidazol-2-yl)methylamino]pyrazine-2-carbonitrile
CID 63239072
5-fluoro-2-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 80829925
4-N-[(1-methylimidazol-2-yl)methyl]-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 80814642

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-iodo-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine (CID 66342594) is 5-iodo-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine is Cn1ccnc1CNc1ncncc1I.
What is the InChIKey of 5-iodo-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is VPIVYJQEBCVOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN5/c1-15-3-2-12-8(15)5-13-9-7(10)4-11-6-14-9/h2-4,6H,5H2,1H3,(H,11,13,14).
What are the key properties of 5-iodo-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
5-iodo-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 315.12 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 66342594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).