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

C14H15ClIN3 — CID 66305986

IUPAC2-(4-chlorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccc(Cl)cc2)nc(NC)c1I
InChIInChI=1S/C14H15ClIN3/c1-3-4-11-12(16)14(17-2)19-13(18-11)9-5-7-10(15)8-6-9/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyJUANFMQNTCVEGA-UHFFFAOYSA-N
MW387.65 g/mol
LogP4.40
Rot. Bonds4

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

2-(4-chlorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine (PubChem CID 66305986) has the molecular formula C14H15ClIN3 and a molecular weight of 387.65 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
PubChem CID66305986
Molecular FormulaC14H15ClIN3
Molecular Weight387.65 g/mol
Exact Mass387.00
IUPAC Name2-(4-chlorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccc(Cl)cc2)nc(NC)c1I
InChIInChI=1S/C14H15ClIN3/c1-3-4-11-12(16)14(17-2)19-13(18-11)9-5-7-10(15)8-6-9/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyJUANFMQNTCVEGA-UHFFFAOYSA-N
XLogP4.40
TPSA37.81 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 ≤ 54.40
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-bromo-4-methoxyphenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66297498
2-(3-chloro-2-fluorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 114488722
5-iodo-N-methyl-6-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
CID 81148160
2-(2-bromophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66304987
5-bromo-2-(4-chlorophenyl)-N,6-dipropylpyrimidin-4-amine
CID 66305370
5-iodo-N-methyl-6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 66295569
5-bromo-2-(3-bromo-4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 82800970
2-(3,4-dimethylphenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66296731
5-bromo-2-(3-chloro-4-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 106818393
2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 107924001
2-(4-bromo-3-fluorophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 81441077
2-(2,5-dimethylthiophen-3-yl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66297690

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of 2-(4-chlorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine (CID 66305986) is 2-(4-chlorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-(4-chlorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine is CCCc1nc(-c2ccc(Cl)cc2)nc(NC)c1I.
What is the InChIKey of 2-(4-chlorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine?
The InChIKey is JUANFMQNTCVEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClIN3/c1-3-4-11-12(16)14(17-2)19-13(18-11)9-5-7-10(15)8-6-9/h5-8H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(4-chlorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine?
2-(4-chlorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine has a molecular weight of 387.65 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66305986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).