4-(4-iodophenyl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine

C16H13IN4 — CID 157146775

IUPAC4-(4-iodophenyl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
SMILESIc1ccc(-c2ccnc(NCc3ccncc3)n2)cc1
InChIInChI=1S/C16H13IN4/c17-14-3-1-13(2-4-14)15-7-10-19-16(21-15)20-11-12-5-8-18-9-6-12/h1-10H,11H2,(H,19,20,21)
InChIKeyAKUILFACTWXYPS-UHFFFAOYSA-N
MW388.21 g/mol
LogP3.76
Rot. Bonds4

About 4-(4-iodophenyl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine

4-(4-iodophenyl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine (PubChem CID 157146775) has the molecular formula C16H13IN4 and a molecular weight of 388.21 g/mol. Its IUPAC name is 4-(4-iodophenyl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-iodophenyl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
PubChem CID157146775
Molecular FormulaC16H13IN4
Molecular Weight388.21 g/mol
Exact Mass388.02
IUPAC Name4-(4-iodophenyl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
SMILESIc1ccc(-c2ccnc(NCc3ccncc3)n2)cc1
InChIInChI=1S/C16H13IN4/c17-14-3-1-13(2-4-14)15-7-10-19-16(21-15)20-11-12-5-8-18-9-6-12/h1-10H,11H2,(H,19,20,21)
InChIKeyAKUILFACTWXYPS-UHFFFAOYSA-N
XLogP3.76
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 53.76
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

4-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]benzamide
CID 22142690
4-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112893866
4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 31105252
4-N-butyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112882829
5-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine
CID 25275557
5-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 3706833
N'-(4-phenylpyrimidin-2-yl)propane-1,3-diamine
CID 117224364
N-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenyl)pyrimidin-2-amine
CID 46172980
2-N-[2-(4-fluorophenyl)ethyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893666
4-N-methyl-4-N-phenyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893868
N-(4-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307500
4-(4-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 68647705

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodophenyl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-iodophenyl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine (CID 157146775) is 4-(4-iodophenyl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-iodophenyl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-iodophenyl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine is Ic1ccc(-c2ccnc(NCc3ccncc3)n2)cc1.
What is the InChIKey of 4-(4-iodophenyl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine?
The InChIKey is AKUILFACTWXYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IN4/c17-14-3-1-13(2-4-14)15-7-10-19-16(21-15)20-11-12-5-8-18-9-6-12/h1-10H,11H2,(H,19,20,21).
What are the key properties of 4-(4-iodophenyl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine?
4-(4-iodophenyl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine has a molecular weight of 388.21 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodophenyl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 157146775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).