6-tert-butyl-2-(4-chlorophenyl)-5-iodopyrimidin-4-amine

C14H15ClIN3 — CID 66307224

IUPAC6-tert-butyl-2-(4-chlorophenyl)-5-iodopyrimidin-4-amine
SMILESCC(C)(C)c1nc(-c2ccc(Cl)cc2)nc(N)c1I
InChIInChI=1S/C14H15ClIN3/c1-14(2,3)11-10(16)12(17)19-13(18-11)8-4-6-9(15)7-5-8/h4-7H,1-3H3,(H2,17,18,19)
InChIKeyRMKLNOZXDOVKRM-UHFFFAOYSA-N
MW387.65 g/mol
LogP4.28
Rot. Bonds1

About 6-tert-butyl-2-(4-chlorophenyl)-5-iodopyrimidin-4-amine

6-tert-butyl-2-(4-chlorophenyl)-5-iodopyrimidin-4-amine (PubChem CID 66307224) has the molecular formula C14H15ClIN3 and a molecular weight of 387.65 g/mol. Its IUPAC name is 6-tert-butyl-2-(4-chlorophenyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-(4-chlorophenyl)-5-iodopyrimidin-4-amine
PubChem CID66307224
Molecular FormulaC14H15ClIN3
Molecular Weight387.65 g/mol
Exact Mass387.00
IUPAC Name6-tert-butyl-2-(4-chlorophenyl)-5-iodopyrimidin-4-amine
SMILESCC(C)(C)c1nc(-c2ccc(Cl)cc2)nc(N)c1I
InChIInChI=1S/C14H15ClIN3/c1-14(2,3)11-10(16)12(17)19-13(18-11)8-4-6-9(15)7-5-8/h4-7H,1-3H3,(H2,17,18,19)
InChIKeyRMKLNOZXDOVKRM-UHFFFAOYSA-N
XLogP4.28
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.65
LogP ≤ 54.28
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

6-tert-butyl-2-(3,5-dimethylphenyl)-5-iodopyrimidin-4-amine
CID 66296933
6-tert-butyl-5-iodo-2-thiophen-3-ylpyrimidin-4-amine
CID 66307423
3-(4-amino-6-tert-butyl-5-iodopyrimidin-2-yl)phenol
CID 66297895
6-tert-butyl-2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine
CID 66295197
2-(3-bromo-4-methoxyphenyl)-6-tert-butyl-5-iodopyrimidin-4-amine
CID 66295776
2-(4-chlorophenyl)-5-iodo-6-phenylpyrimidin-4-amine
CID 66294114
6-tert-butyl-5-iodo-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine
CID 66298090
6-tert-butyl-5-iodo-2-(5-methyl-2-pyridinyl)pyrimidin-4-amine
CID 81311851
2-(2-bromo-5-fluorophenyl)-6-tert-butyl-5-iodopyrimidin-4-amine
CID 107924005
5-bromo-2-(3-bromo-4-fluorophenyl)-6-tert-butylpyrimidin-4-amine
CID 82801275
2-(4-tert-butylphenyl)-6-chloro-5-methylpyrimidin-4-amine
CID 155732079
4-tert-butyl-6-chloro-5-iodo-2-thiophen-3-ylpyrimidine
CID 66294614

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(4-chlorophenyl)-5-iodopyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-(4-chlorophenyl)-5-iodopyrimidin-4-amine (CID 66307224) is 6-tert-butyl-2-(4-chlorophenyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-(4-chlorophenyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-(4-chlorophenyl)-5-iodopyrimidin-4-amine is CC(C)(C)c1nc(-c2ccc(Cl)cc2)nc(N)c1I.
What is the InChIKey of 6-tert-butyl-2-(4-chlorophenyl)-5-iodopyrimidin-4-amine?
The InChIKey is RMKLNOZXDOVKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClIN3/c1-14(2,3)11-10(16)12(17)19-13(18-11)8-4-6-9(15)7-5-8/h4-7H,1-3H3,(H2,17,18,19).
What are the key properties of 6-tert-butyl-2-(4-chlorophenyl)-5-iodopyrimidin-4-amine?
6-tert-butyl-2-(4-chlorophenyl)-5-iodopyrimidin-4-amine has a molecular weight of 387.65 g/mol, XLogP of 4.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(4-chlorophenyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 66307224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).