6-cyclopropyl-5-iodo-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine

C13H13IN4O — CID 114938417

IUPAC6-cyclopropyl-5-iodo-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
SMILESCOc1ccc(-c2nc(N)c(I)c(C3CC3)n2)cn1
InChIInChI=1S/C13H13IN4O/c1-19-9-5-4-8(6-16-9)13-17-11(7-2-3-7)10(14)12(15)18-13/h4-7H,2-3H2,1H3,(H2,15,17,18)
InChIKeyXMJJNHLJGLVJPY-UHFFFAOYSA-N
MW368.18 g/mol
LogP2.61
Rot. Bonds3

About 6-cyclopropyl-5-iodo-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine

6-cyclopropyl-5-iodo-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine (PubChem CID 114938417) has the molecular formula C13H13IN4O and a molecular weight of 368.18 g/mol. Its IUPAC name is 6-cyclopropyl-5-iodo-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-5-iodo-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
PubChem CID114938417
Molecular FormulaC13H13IN4O
Molecular Weight368.18 g/mol
Exact Mass368.01
IUPAC Name6-cyclopropyl-5-iodo-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
SMILESCOc1ccc(-c2nc(N)c(I)c(C3CC3)n2)cn1
InChIInChI=1S/C13H13IN4O/c1-19-9-5-4-8(6-16-9)13-17-11(7-2-3-7)10(14)12(15)18-13/h4-7H,2-3H2,1H3,(H2,15,17,18)
InChIKeyXMJJNHLJGLVJPY-UHFFFAOYSA-N
XLogP2.61
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.18
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-cyclopropyl-2-(4-fluorophenyl)-5-iodopyrimidin-4-amine
CID 66302764
2-(4-bromophenyl)-6-cyclopropyl-5-iodopyrimidin-4-amine
CID 66303584
6-cyclopropyl-5-iodo-2-(4-propoxyphenyl)pyrimidin-4-amine
CID 66312982
6-cyclopropyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66302561
6-cyclopropyl-5-iodo-2-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 66311425
6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidin-4-amine
CID 107504376
6-cyclopropyl-2-(3-fluorophenyl)-5-iodopyrimidin-4-amine
CID 66301746
2-chloro-5-iodo-6-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
CID 142788951
6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine
CID 81277655
6-cyclopropyl-2-(2-cyclopropylphenyl)-5-iodopyrimidin-4-amine
CID 79970668
4-chloro-6-cyclopentyl-2-(6-methoxy-3-pyridinyl)pyrimidine
CID 114937710
2-methoxy-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
CID 67055603

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-iodo-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-5-iodo-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine (CID 114938417) is 6-cyclopropyl-5-iodo-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-5-iodo-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-5-iodo-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine is COc1ccc(-c2nc(N)c(I)c(C3CC3)n2)cn1.
What is the InChIKey of 6-cyclopropyl-5-iodo-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine?
The InChIKey is XMJJNHLJGLVJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN4O/c1-19-9-5-4-8(6-16-9)13-17-11(7-2-3-7)10(14)12(15)18-13/h4-7H,2-3H2,1H3,(H2,15,17,18).
What are the key properties of 6-cyclopropyl-5-iodo-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine?
6-cyclopropyl-5-iodo-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine has a molecular weight of 368.18 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-iodo-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 114938417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).