N-cyclopentyl-5-(4-iodophenyl)-2-methylpyrimidin-4-amine

C16H18IN3 — CID 59405085

IUPACN-cyclopentyl-5-(4-iodophenyl)-2-methylpyrimidin-4-amine
SMILESCc1ncc(-c2ccc(I)cc2)c(NC2CCCC2)n1
InChIInChI=1S/C16H18IN3/c1-11-18-10-15(12-6-8-13(17)9-7-12)16(19-11)20-14-4-2-3-5-14/h6-10,14H,2-5H2,1H3,(H,18,19,20)
InChIKeyJGXGORZAMDPHRR-UHFFFAOYSA-N
MW379.25 g/mol
LogP4.41
Rot. Bonds3

About N-cyclopentyl-5-(4-iodophenyl)-2-methylpyrimidin-4-amine

N-cyclopentyl-5-(4-iodophenyl)-2-methylpyrimidin-4-amine (PubChem CID 59405085) has the molecular formula C16H18IN3 and a molecular weight of 379.25 g/mol. Its IUPAC name is N-cyclopentyl-5-(4-iodophenyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-5-(4-iodophenyl)-2-methylpyrimidin-4-amine
PubChem CID59405085
Molecular FormulaC16H18IN3
Molecular Weight379.25 g/mol
Exact Mass379.05
IUPAC NameN-cyclopentyl-5-(4-iodophenyl)-2-methylpyrimidin-4-amine
SMILESCc1ncc(-c2ccc(I)cc2)c(NC2CCCC2)n1
InChIInChI=1S/C16H18IN3/c1-11-18-10-15(12-6-8-13(17)9-7-12)16(19-11)20-14-4-2-3-5-14/h6-10,14H,2-5H2,1H3,(H,18,19,20)
InChIKeyJGXGORZAMDPHRR-UHFFFAOYSA-N
XLogP4.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 54.41
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

5-Phenyl-2,4-pyrimidinediamine
CID 134761
4-Pyrimidinamine, N-(1R,2R,4S)-bicyclo(2.2.1)hept-2-yl-2-methyl-5-(4-(trifluoromethyl)phenyl)-
CID 56940925
2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 25070582
4-[2-(4-Carbamimidoylphenyl)pyrimidin-5-yl]benzenecarboximidamide
CID 11849619
N*2*-Phenethyl-N*4*-((S)-1-phenyl-ethyl)-pyrimidine-2,4-diamine
CID 44393180
2,4-Diamino-5-benzylpyrimidine
CID 81752
2,5-Diphenylpyrimidine
CID 755305
2-(1,2-Diphenylethylamino)-pyridine
CID 3057340
Pyrimidine, 2-((1-benzyl-4-piperidyl)amino)-
CID 3059129
5-Phenylpyrimidin-4-amine
CID 233337
5-Phenylpyrimidin-2-amine
CID 12343511
4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 112885084

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(4-iodophenyl)-2-methylpyrimidin-4-amine?
The IUPAC name of N-cyclopentyl-5-(4-iodophenyl)-2-methylpyrimidin-4-amine (CID 59405085) is N-cyclopentyl-5-(4-iodophenyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-cyclopentyl-5-(4-iodophenyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for N-cyclopentyl-5-(4-iodophenyl)-2-methylpyrimidin-4-amine is Cc1ncc(-c2ccc(I)cc2)c(NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-5-(4-iodophenyl)-2-methylpyrimidin-4-amine?
The InChIKey is JGXGORZAMDPHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18IN3/c1-11-18-10-15(12-6-8-13(17)9-7-12)16(19-11)20-14-4-2-3-5-14/h6-10,14H,2-5H2,1H3,(H,18,19,20).
What are the key properties of N-cyclopentyl-5-(4-iodophenyl)-2-methylpyrimidin-4-amine?
N-cyclopentyl-5-(4-iodophenyl)-2-methylpyrimidin-4-amine has a molecular weight of 379.25 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(4-iodophenyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 59405085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).