4-N-(2-chloro-4-iodophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine

C15H16ClIN4 — CID 107604736

IUPAC4-N-(2-chloro-4-iodophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2ccc(I)cc2Cl)nc(C2CC2)n1
InChIInChI=1S/C15H16ClIN4/c1-2-18-13-8-14(21-15(20-13)9-3-4-9)19-12-6-5-10(17)7-11(12)16/h5-9H,2-4H2,1H3,(H2,18,19,20,21)
InChIKeyIQNYDYRPHKVXJK-UHFFFAOYSA-N
MW414.68 g/mol
LogP4.79
Rot. Bonds5

About 4-N-(2-chloro-4-iodophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine

4-N-(2-chloro-4-iodophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine (PubChem CID 107604736) has the molecular formula C15H16ClIN4 and a molecular weight of 414.68 g/mol. Its IUPAC name is 4-N-(2-chloro-4-iodophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-4-iodophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
PubChem CID107604736
Molecular FormulaC15H16ClIN4
Molecular Weight414.68 g/mol
Exact Mass414.01
IUPAC Name4-N-(2-chloro-4-iodophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2ccc(I)cc2Cl)nc(C2CC2)n1
InChIInChI=1S/C15H16ClIN4/c1-2-18-13-8-14(21-15(20-13)9-3-4-9)19-12-6-5-10(17)7-11(12)16/h5-9H,2-4H2,1H3,(H2,18,19,20,21)
InChIKeyIQNYDYRPHKVXJK-UHFFFAOYSA-N
XLogP4.79
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.68
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80957024
4-N-(2-chloro-5-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 107638910
4-N-(2-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80955833
3,5-dichloro-6-N-(2-chloro-4-iodophenyl)-2-N-ethylpyridine-2,6-diamine
CID 107604767
4-N-(2-chloro-6-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80958496
2-cyclopropyl-4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80956506
N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80969702
2-cyclopropyl-6-N-ethyl-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,6-diamine
CID 80962039
4-N-(5-bromo-2-fluorophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80960649
6-chloro-N-(2-chloro-4-methylphenyl)-2-cyclopropylpyrimidin-4-amine
CID 80948882
4-N-(2-chloro-4-methylphenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80754804
2-cyclopropyl-6-N-ethyl-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 80957134

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-4-iodophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-chloro-4-iodophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine (CID 107604736) is 4-N-(2-chloro-4-iodophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-chloro-4-iodophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-chloro-4-iodophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine is CCNc1cc(Nc2ccc(I)cc2Cl)nc(C2CC2)n1.
What is the InChIKey of 4-N-(2-chloro-4-iodophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine?
The InChIKey is IQNYDYRPHKVXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClIN4/c1-2-18-13-8-14(21-15(20-13)9-3-4-9)19-12-6-5-10(17)7-11(12)16/h5-9H,2-4H2,1H3,(H2,18,19,20,21).
What are the key properties of 4-N-(2-chloro-4-iodophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine?
4-N-(2-chloro-4-iodophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine has a molecular weight of 414.68 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-4-iodophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 107604736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).