6-(iodomethyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

C11H11IN4 — CID 118029133

IUPAC6-(iodomethyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESICc1cc(NCc2cccnc2)ncn1
InChIInChI=1S/C11H11IN4/c12-5-10-4-11(16-8-15-10)14-7-9-2-1-3-13-6-9/h1-4,6,8H,5,7H2,(H,14,15,16)
InChIKeyKHCQNXKSQAUNHH-UHFFFAOYSA-N
MW326.14 g/mol
LogP2.42
Rot. Bonds4

About 6-(iodomethyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

6-(iodomethyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 118029133) has the molecular formula C11H11IN4 and a molecular weight of 326.14 g/mol. Its IUPAC name is 6-(iodomethyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(iodomethyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
PubChem CID118029133
Molecular FormulaC11H11IN4
Molecular Weight326.14 g/mol
Exact Mass326.00
IUPAC Name6-(iodomethyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESICc1cc(NCc2cccnc2)ncn1
InChIInChI=1S/C11H11IN4/c12-5-10-4-11(16-8-15-10)14-7-9-2-1-3-13-6-9/h1-4,6,8H,5,7H2,(H,14,15,16)
InChIKeyKHCQNXKSQAUNHH-UHFFFAOYSA-N
XLogP2.42
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-[(2-fluorophenyl)methyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112859559
6-butoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 82453638
4-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 40787521
4-N-[(2-methoxyphenyl)methyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860055
4-[[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112860865
N-(pyridin-3-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112860746
6-(4-methylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112857915
2-(pyridin-3-ylmethylamino)pyridine-4-carbonitrile
CID 29036481
6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860749
4-N-ethyl-4-N-phenyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860780
4-N,6-N-bis(pyridin-3-ylmethyl)-1,7-naphthyridine-4,6-diamine
CID 69183762
4-N-(2-ethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860806

Frequently Asked Questions

What is the IUPAC name of 6-(iodomethyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-(iodomethyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (CID 118029133) is 6-(iodomethyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(iodomethyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(iodomethyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is ICc1cc(NCc2cccnc2)ncn1.
What is the InChIKey of 6-(iodomethyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is KHCQNXKSQAUNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN4/c12-5-10-4-11(16-8-15-10)14-7-9-2-1-3-13-6-9/h1-4,6,8H,5,7H2,(H,14,15,16).
What are the key properties of 6-(iodomethyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
6-(iodomethyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 326.14 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(iodomethyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 118029133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).