2-(2-chloro-6-methoxyphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine

C15H17ClIN3O — CID 104818371

IUPAC2-(2-chloro-6-methoxyphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCOc1cccc(Cl)c1-c1nc(N)c(I)c(CC(C)C)n1
InChIInChI=1S/C15H17ClIN3O/c1-8(2)7-10-13(17)14(18)20-15(19-10)12-9(16)5-4-6-11(12)21-3/h4-6,8H,7H2,1-3H3,(H2,18,19,20)
InChIKeyCVIGQJZFAUGRLX-UHFFFAOYSA-N
MW417.68 g/mol
LogP4.19
Rot. Bonds4

About 2-(2-chloro-6-methoxyphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine

2-(2-chloro-6-methoxyphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 104818371) has the molecular formula C15H17ClIN3O and a molecular weight of 417.68 g/mol. Its IUPAC name is 2-(2-chloro-6-methoxyphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-chloro-6-methoxyphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
PubChem CID104818371
Molecular FormulaC15H17ClIN3O
Molecular Weight417.68 g/mol
Exact Mass417.01
IUPAC Name2-(2-chloro-6-methoxyphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCOc1cccc(Cl)c1-c1nc(N)c(I)c(CC(C)C)n1
InChIInChI=1S/C15H17ClIN3O/c1-8(2)7-10-13(17)14(18)20-15(19-10)12-9(16)5-4-6-11(12)21-3/h4-6,8H,7H2,1-3H3,(H2,18,19,20)
InChIKeyCVIGQJZFAUGRLX-UHFFFAOYSA-N
XLogP4.19
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.68
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(2-chloro-6-methoxyphenyl)-6-ethylpyrimidin-4-amine
CID 104818317
4-chloro-2-(2-chloro-6-methoxyphenyl)-6-ethyl-5-iodopyrimidine
CID 113456422
4-chloro-2-(2-chloro-6-methoxyphenyl)-5-iodo-6-propan-2-ylpyrimidine
CID 104816917
2-(2-chloro-6-methoxyphenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 104818339
2-(3-bromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
CID 115381240
2-(2-chloro-6-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472857
4,6-dichloro-2-(2-chloro-6-methoxyphenyl)-5-propylpyrimidine
CID 104816907
5-(2-chloro-6-methoxyphenyl)pyrazin-2-amine
CID 39826444
5-(2-chloro-6-methoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
CID 104818026
2-(3-bromo-4-methylphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
CID 105410505
5-(2-chloro-6-methoxyphenyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine
CID 104818038
5-iodo-2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 116730016

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methoxyphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of 2-(2-chloro-6-methoxyphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine (CID 104818371) is 2-(2-chloro-6-methoxyphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(2-chloro-6-methoxyphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for 2-(2-chloro-6-methoxyphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine is COc1cccc(Cl)c1-c1nc(N)c(I)c(CC(C)C)n1.
What is the InChIKey of 2-(2-chloro-6-methoxyphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is CVIGQJZFAUGRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClIN3O/c1-8(2)7-10-13(17)14(18)20-15(19-10)12-9(16)5-4-6-11(12)21-3/h4-6,8H,7H2,1-3H3,(H2,18,19,20).
What are the key properties of 2-(2-chloro-6-methoxyphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine?
2-(2-chloro-6-methoxyphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 417.68 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methoxyphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 104818371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).