6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidin-4-amine

C14H15IN4 — CID 107504376

IUPAC6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidin-4-amine
SMILESCc1cc(-c2nc(N)c(I)c(C3CC3)n2)cc(C)n1
InChIInChI=1S/C14H15IN4/c1-7-5-10(6-8(2)17-7)14-18-12(9-3-4-9)11(15)13(16)19-14/h5-6,9H,3-4H2,1-2H3,(H2,16,18,19)
InChIKeyXVRDLWSOACKBBJ-UHFFFAOYSA-N
MW366.21 g/mol
LogP3.22
Rot. Bonds2

About 6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidin-4-amine

6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidin-4-amine (PubChem CID 107504376) has the molecular formula C14H15IN4 and a molecular weight of 366.21 g/mol. Its IUPAC name is 6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidin-4-amine
PubChem CID107504376
Molecular FormulaC14H15IN4
Molecular Weight366.21 g/mol
Exact Mass366.03
IUPAC Name6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidin-4-amine
SMILESCc1cc(-c2nc(N)c(I)c(C3CC3)n2)cc(C)n1
InChIInChI=1S/C14H15IN4/c1-7-5-10(6-8(2)17-7)14-18-12(9-3-4-9)11(15)13(16)19-14/h5-6,9H,3-4H2,1-2H3,(H2,16,18,19)
InChIKeyXVRDLWSOACKBBJ-UHFFFAOYSA-N
XLogP3.22
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.21
LogP ≤ 53.22
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

6-cyclopropyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66302561
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-methylsulfanylphenyl)pyrimidin-4-amine
CID 66311425
6-cyclopropyl-2-(3-fluorophenyl)-5-iodopyrimidin-4-amine
CID 66301746
6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine
CID 81277655
6-cyclopropyl-5-iodo-2-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
CID 114938417
2-(3-chloro-5-fluorophenyl)-6-cyclopentyl-5-iodopyrimidin-4-amine
CID 114454627
6-cyclopropyl-2-[3-(difluoromethyl)phenyl]-5-iodopyrimidin-4-amine
CID 115528554
6-cyclopropyl-5-iodo-2-(3-methylfuran-2-yl)pyrimidin-4-amine
CID 104806878
6-cyclopropyl-5-iodo-2-(4-propoxyphenyl)pyrimidin-4-amine
CID 66312982
6-cyclopropyl-2-(1,5-dimethylpyrazol-4-yl)-5-iodopyrimidin-4-amine
CID 79584322

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidin-4-amine (CID 107504376) is 6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidin-4-amine is Cc1cc(-c2nc(N)c(I)c(C3CC3)n2)cc(C)n1.
What is the InChIKey of 6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidin-4-amine?
The InChIKey is XVRDLWSOACKBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN4/c1-7-5-10(6-8(2)17-7)14-18-12(9-3-4-9)11(15)13(16)19-14/h5-6,9H,3-4H2,1-2H3,(H2,16,18,19).
What are the key properties of 6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidin-4-amine?
6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidin-4-amine has a molecular weight of 366.21 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidin-4-amine is sourced from PubChem (CID 107504376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).