4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine

C11H11IN4 — CID 80763536

IUPAC4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccccc2I)ncn1
InChIInChI=1S/C11H11IN4/c1-13-10-6-11(15-7-14-10)16-9-5-3-2-4-8(9)12/h2-7H,1H3,(H2,13,14,15,16)
InChIKeyRVWWIVRVCSBGLZ-UHFFFAOYSA-N
MW326.14 g/mol
LogP2.87
Rot. Bonds3

About 4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine

4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80763536) has the molecular formula C11H11IN4 and a molecular weight of 326.14 g/mol. Its IUPAC name is 4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID80763536
Molecular FormulaC11H11IN4
Molecular Weight326.14 g/mol
Exact Mass326.00
IUPAC Name4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccccc2I)ncn1
InChIInChI=1S/C11H11IN4/c1-13-10-6-11(15-7-14-10)16-9-5-3-2-4-8(9)12/h2-7H,1H3,(H2,13,14,15,16)
InChIKeyRVWWIVRVCSBGLZ-UHFFFAOYSA-N
XLogP2.87
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-hydrazinyl-N-(2-iodophenyl)pyrimidin-4-amine
CID 80926315
4-N-(4-fluoro-2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80849441
4-N-(2-tert-butylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80835461
6-N-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80763069
4-N-(2,3-difluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80797193
4-N-(3-chloro-2-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762667
4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine
CID 112864815
6-N-methyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-4,6-diamine
CID 80759856
4-N-(2-iodophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80762709
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine
CID 112865738
6-N-methyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-4,6-diamine
CID 80759397
4-N-(2-fluoro-5-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80755577

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine (CID 80763536) is 4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine is CNc1cc(Nc2ccccc2I)ncn1.
What is the InChIKey of 4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is RVWWIVRVCSBGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN4/c1-13-10-6-11(15-7-14-10)16-9-5-3-2-4-8(9)12/h2-7H,1H3,(H2,13,14,15,16).
What are the key properties of 4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine?
4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 326.14 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-iodophenyl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80763536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).