6-chloro-N-(3-iodophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine

C14H15ClIN3 — CID 80972906

IUPAC6-chloro-N-(3-iodophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1Nc1cccc(I)c1
InChIInChI=1S/C14H15ClIN3/c1-8(2)13-18-12(15)9(3)14(19-13)17-11-6-4-5-10(16)7-11/h4-8H,1-3H3,(H,17,18,19)
InChIKeyDBBWLJZHNBLLQK-UHFFFAOYSA-N
MW387.65 g/mol
LogP4.91
Rot. Bonds3

About 6-chloro-N-(3-iodophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine

6-chloro-N-(3-iodophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80972906) has the molecular formula C14H15ClIN3 and a molecular weight of 387.65 g/mol. Its IUPAC name is 6-chloro-N-(3-iodophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-iodophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80972906
Molecular FormulaC14H15ClIN3
Molecular Weight387.65 g/mol
Exact Mass387.00
IUPAC Name6-chloro-N-(3-iodophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C(C)C)nc1Nc1cccc(I)c1
InChIInChI=1S/C14H15ClIN3/c1-8(2)13-18-12(15)9(3)14(19-13)17-11-6-4-5-10(16)7-11/h4-8H,1-3H3,(H,17,18,19)
InChIKeyDBBWLJZHNBLLQK-UHFFFAOYSA-N
XLogP4.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.65
LogP ≤ 54.91
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-chloro-N-(3-ethylphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80971019
6-chloro-N-(3-chloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80972758
6-chloro-5-methyl-2-propan-2-yl-N-(2,4,5-trichlorophenyl)pyrimidin-4-amine
CID 80973856
6-chloro-2,5-dimethyl-N-(3-propan-2-ylphenyl)pyrimidin-4-amine
CID 63734213
6-chloro-5-methyl-2-propan-2-yl-N-thiophen-3-ylpyrimidin-4-amine
CID 80978315
6-chloro-N-(2,5-dichloro-4-methylphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 104727798
6-chloro-N-(2,6-dichloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 83079114
N-(2-bromo-4-chlorophenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81280388
N-(2-bromo-5-methylphenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 82766249
4-N-(4-iodophenyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976810
N-(4-bromo-2,3-dichlorophenyl)-6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 107792299
4-chloro-3-[(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]benzonitrile
CID 80970291

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-iodophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3-iodophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80972906) is 6-chloro-N-(3-iodophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-iodophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3-iodophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine is Cc1c(Cl)nc(C(C)C)nc1Nc1cccc(I)c1.
What is the InChIKey of 6-chloro-N-(3-iodophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is DBBWLJZHNBLLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClIN3/c1-8(2)13-18-12(15)9(3)14(19-13)17-11-6-4-5-10(16)7-11/h4-8H,1-3H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(3-iodophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(3-iodophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 387.65 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-iodophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80972906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).