6-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine

C12H13ClN4O — CID 63023250

IUPAC6-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine
SMILESCOCc1ccccc1Nc1ncnc(Cl)c1N
InChIInChI=1S/C12H13ClN4O/c1-18-6-8-4-2-3-5-9(8)17-12-10(14)11(13)15-7-16-12/h2-5,7H,6,14H2,1H3,(H,15,16,17)
InChIKeyJPFQPJVYDDUWLH-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.60
Rot. Bonds4

About 6-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine

6-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine (PubChem CID 63023250) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 6-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine
PubChem CID63023250
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name6-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine
SMILESCOCc1ccccc1Nc1ncnc(Cl)c1N
InChIInChI=1S/C12H13ClN4O/c1-18-6-8-4-2-3-5-9(8)17-12-10(14)11(13)15-7-16-12/h2-5,7H,6,14H2,1H3,(H,15,16,17)
InChIKeyJPFQPJVYDDUWLH-UHFFFAOYSA-N
XLogP2.60
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-4-N-(2-propylphenyl)pyrimidine-4,5-diamine
CID 55143311
2-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine
CID 114043687
6-chloro-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 23477466
5-iodo-N-[2-(methoxymethyl)phenyl]pyrimidin-4-amine
CID 66320856
4-N-[2-(methoxymethyl)phenyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80783013
6-methoxy-4-N-[2-(2-methoxyethyl)phenyl]pyrimidine-4,5-diamine
CID 102903424
4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544045
6-chloro-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,5-diamine
CID 63022392
5-fluoro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine
CID 80801553
6-chloro-N-[2-(2-methoxyethyl)phenyl]-5-propylpyrimidin-4-amine
CID 102907328
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,5,6-triamine
CID 19147893
4-N-(2-ethylphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 22544115

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine (CID 63023250) is 6-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine is COCc1ccccc1Nc1ncnc(Cl)c1N.
What is the InChIKey of 6-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine?
The InChIKey is JPFQPJVYDDUWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-18-6-8-4-2-3-5-9(8)17-12-10(14)11(13)15-7-16-12/h2-5,7H,6,14H2,1H3,(H,15,16,17).
What are the key properties of 6-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine?
6-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine has a molecular weight of 264.72 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 63023250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).