2-[(4-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine

C14H15ClIN3 — CID 66306766

IUPAC2-[(4-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(Cc2ccc(Cl)cc2)nc(N)c1I
InChIInChI=1S/C14H15ClIN3/c1-2-3-11-13(16)14(17)19-12(18-11)8-9-4-6-10(15)7-5-9/h4-7H,2-3,8H2,1H3,(H2,17,18,19)
InChIKeyZZAYMHPKWXOKIF-UHFFFAOYSA-N
MW387.65 g/mol
LogP3.86
Rot. Bonds4

About 2-[(4-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine

2-[(4-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine (PubChem CID 66306766) has the molecular formula C14H15ClIN3 and a molecular weight of 387.65 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine
PubChem CID66306766
Molecular FormulaC14H15ClIN3
Molecular Weight387.65 g/mol
Exact Mass387.00
IUPAC Name2-[(4-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(Cc2ccc(Cl)cc2)nc(N)c1I
InChIInChI=1S/C14H15ClIN3/c1-2-3-11-13(16)14(17)19-12(18-11)8-9-4-6-10(15)7-5-9/h4-7H,2-3,8H2,1H3,(H2,17,18,19)
InChIKeyZZAYMHPKWXOKIF-UHFFFAOYSA-N
XLogP3.86
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.65
LogP ≤ 53.86
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

2-[(3,4-dimethylphenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66307569
2-[(2-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66305972
2-[(3,5-difluorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66305379
5-iodo-2-[(3-methylphenyl)methyl]-6-propylpyrimidin-4-amine
CID 66304585
2-[(dimethylamino)methyl]-5-iodo-6-propylpyrimidin-4-amine
CID 79089175
2-[(3-chlorophenyl)methyl]-6-ethyl-5-iodopyrimidin-4-amine
CID 66298678
2-[(4-chlorophenyl)methyl]-N,6-diethyl-5-iodopyrimidin-4-amine
CID 66300863
5-bromo-2-[(3-chlorophenyl)methyl]-6-propylpyrimidin-4-amine
CID 66306930
6-ethyl-5-iodo-2-propylpyrimidin-4-amine
CID 66298675
2-[(4-bromophenyl)methyl]-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66302197
2-[(4-bromophenyl)sulfanylmethyl]-5-iodo-6-propylpyrimidin-4-amine
CID 66307765
2-(4-chlorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66305986

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine (CID 66306766) is 2-[(4-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine is CCCc1nc(Cc2ccc(Cl)cc2)nc(N)c1I.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine?
The InChIKey is ZZAYMHPKWXOKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClIN3/c1-2-3-11-13(16)14(17)19-12(18-11)8-9-4-6-10(15)7-5-9/h4-7H,2-3,8H2,1H3,(H2,17,18,19).
What are the key properties of 2-[(4-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine?
2-[(4-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine has a molecular weight of 387.65 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-5-iodo-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66306766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).