5-iodo-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine

C9H8IN5O — CID 102952764

IUPAC5-iodo-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine
SMILESCOc1cc(-c2ncc(I)c(N)n2)ncn1
InChIInChI=1S/C9H8IN5O/c1-16-7-2-6(13-4-14-7)9-12-3-5(10)8(11)15-9/h2-4H,1H3,(H2,11,12,15)
InChIKeyBFEGRAIRCGBYCE-UHFFFAOYSA-N
MW329.10 g/mol
LogP1.13
Rot. Bonds2

About 5-iodo-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine

5-iodo-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine (PubChem CID 102952764) has the molecular formula C9H8IN5O and a molecular weight of 329.10 g/mol. Its IUPAC name is 5-iodo-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine
PubChem CID102952764
Molecular FormulaC9H8IN5O
Molecular Weight329.10 g/mol
Exact Mass328.98
IUPAC Name5-iodo-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine
SMILESCOc1cc(-c2ncc(I)c(N)n2)ncn1
InChIInChI=1S/C9H8IN5O/c1-16-7-2-6(13-4-14-7)9-12-3-5(10)8(11)15-9/h2-4H,1H3,(H2,11,12,15)
InChIKeyBFEGRAIRCGBYCE-UHFFFAOYSA-N
XLogP1.13
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.10
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(6-methoxypyrimidin-4-yl)-4-propan-2-ylpyrimidin-5-amine
CID 114207194
5-iodo-2-(4-methoxy-3-methylphenyl)pyrimidin-4-amine
CID 66297619
4-(difluoromethyl)-2-(6-methoxypyrimidin-4-yl)pyrimidine-5-carboxylic acid
CID 102952603
5-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 102949662
(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 102949609
2-(6-methoxypyrimidin-4-yl)pyrimidine-4-carboxylic acid
CID 102952904
4-chloro-6-cyclopropyl-2-(6-methoxypyrimidin-4-yl)pyrimidine
CID 102949860
4,6-dichloro-2-(6-methoxypyrimidin-4-yl)-5-propan-2-ylpyrimidine
CID 102949864
1-[2-(6-methoxypyrimidin-4-yl)pyrimidin-4-yl]butan-2-amine
CID 102952915
3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine
CID 102949614
2-(6-methoxypyrimidin-4-yl)-N,6-dimethylpyrimidin-4-amine
CID 102952684
5-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 102949575

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine (CID 102952764) is 5-iodo-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine is COc1cc(-c2ncc(I)c(N)n2)ncn1.
What is the InChIKey of 5-iodo-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine?
The InChIKey is BFEGRAIRCGBYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8IN5O/c1-16-7-2-6(13-4-14-7)9-12-3-5(10)8(11)15-9/h2-4H,1H3,(H2,11,12,15).
What are the key properties of 5-iodo-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine?
5-iodo-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine has a molecular weight of 329.10 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(6-methoxypyrimidin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 102952764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).