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

C12H13ClN4O — CID 114043687

IUPAC2-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine
SMILESCOCc1ccccc1Nc1nc(Cl)ncc1N
InChIInChI=1S/C12H13ClN4O/c1-18-7-8-4-2-3-5-10(8)16-11-9(14)6-15-12(13)17-11/h2-6H,7,14H2,1H3,(H,15,16,17)
InChIKeyISMYBGDEXVCSAV-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.60
Rot. Bonds4

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

2-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine (PubChem CID 114043687) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 2-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine
PubChem CID114043687
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name2-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine
SMILESCOCc1ccccc1Nc1nc(Cl)ncc1N
InChIInChI=1S/C12H13ClN4O/c1-18-7-8-4-2-3-5-10(8)16-11-9(14)6-15-12(13)17-11/h2-6H,7,14H2,1H3,(H,15,16,17)
InChIKeyISMYBGDEXVCSAV-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-(methoxymethyl)phenyl]pyrimidine-4,5-diamine
CID 63023250
5-fluoro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine
CID 80801553
2-[(5-amino-2-chloropyrimidin-4-yl)amino]benzoic acid;hydrochloride
CID 140635040
2,5-dichloro-N-(2-propylphenyl)pyrimidin-4-amine
CID 79632081
5-iodo-N-[2-(methoxymethyl)phenyl]pyrimidin-4-amine
CID 66320856
6-N-[2-(methoxymethyl)phenyl]pyridine-2,6-diamine
CID 80652415
2-chloro-5-methyl-N-[2-(methylsulfonylmethyl)phenyl]pyrimidin-4-amine
CID 159278230
2-chloro-4-[[2-(methoxymethyl)phenyl]methylamino]pyrimidine-5-carboxamide
CID 154628278
3-[2-(methoxymethyl)anilino]pyrazine-2-carbothioamide
CID 62684293
4-N-[2-(methoxymethyl)phenyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80986562
4-chloro-8-(methoxymethyl)quinolin-3-amine
CID 102614193
3-[2-(methoxymethyl)anilino]pyrazine-2-carbonitrile
CID 62683507

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine?
The IUPAC name of 2-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine (CID 114043687) is 2-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 2-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine?
The canonical SMILES for 2-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine is COCc1ccccc1Nc1nc(Cl)ncc1N.
What is the InChIKey of 2-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine?
The InChIKey is ISMYBGDEXVCSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-18-7-8-4-2-3-5-10(8)16-11-9(14)6-15-12(13)17-11/h2-6H,7,14H2,1H3,(H,15,16,17).
What are the key properties of 2-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine?
2-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 2-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 114043687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).