5-iodo-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

C11H12IN5 — CID 171984806

IUPAC5-iodo-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1nc(NCc2ccccn2)nc(N)c1I
InChIInChI=1S/C11H12IN5/c1-7-9(12)10(13)17-11(16-7)15-6-8-4-2-3-5-14-8/h2-5H,6H2,1H3,(H3,13,15,16,17)
InChIKeyLUISWXOWISFYEO-UHFFFAOYSA-N
MW341.16 g/mol
LogP1.98
Rot. Bonds3

About 5-iodo-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

5-iodo-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 171984806) has the molecular formula C11H12IN5 and a molecular weight of 341.16 g/mol. Its IUPAC name is 5-iodo-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-iodo-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID171984806
Molecular FormulaC11H12IN5
Molecular Weight341.16 g/mol
Exact Mass341.01
IUPAC Name5-iodo-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1nc(NCc2ccccn2)nc(N)c1I
InChIInChI=1S/C11H12IN5/c1-7-9(12)10(13)17-11(16-7)15-6-8-4-2-3-5-14-8/h2-5H,6H2,1H3,(H3,13,15,16,17)
InChIKeyLUISWXOWISFYEO-UHFFFAOYSA-N
XLogP1.98
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-(pyridin-2-ylmethyl)pyrimidine-2,5-diamine
CID 61146429
6-methyl-5-[(E)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 1214887
6-methoxy-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80777487
N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 123270108
6-methyl-2-N-(pyridin-2-ylmethyl)pyridine-2,3-diamine
CID 81132178
2-N,4-N-diphenyl-6-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 67212949
4-N-(2-chlorophenyl)-5,6-dimethyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 71738749
5-methyl-2-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 71922543
1,3-dimethyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine
CID 43554069
5-fluoro-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 115749808
4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 80777882
4-ethoxy-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636547

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-iodo-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (CID 171984806) is 5-iodo-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-iodo-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-iodo-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is Cc1nc(NCc2ccccn2)nc(N)c1I.
What is the InChIKey of 5-iodo-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is LUISWXOWISFYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN5/c1-7-9(12)10(13)17-11(16-7)15-6-8-4-2-3-5-14-8/h2-5H,6H2,1H3,(H3,13,15,16,17).
What are the key properties of 5-iodo-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
5-iodo-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 341.16 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 171984806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).