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

C12H13BrN4O — CID 116796734

IUPAC6-bromo-2-N-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine
SMILESCOCc1ccccc1Nc1nc(N)cc(Br)n1
InChIInChI=1S/C12H13BrN4O/c1-18-7-8-4-2-3-5-9(8)15-12-16-10(13)6-11(14)17-12/h2-6H,7H2,1H3,(H3,14,15,16,17)
InChIKeyYXPJDQAYLAPDNP-UHFFFAOYSA-N
MW309.17 g/mol
LogP2.71
Rot. Bonds4

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

6-bromo-2-N-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 116796734) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is 6-bromo-2-N-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-bromo-2-N-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID116796734
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name6-bromo-2-N-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine
SMILESCOCc1ccccc1Nc1nc(N)cc(Br)n1
InChIInChI=1S/C12H13BrN4O/c1-18-7-8-4-2-3-5-9(8)15-12-16-10(13)6-11(14)17-12/h2-6H,7H2,1H3,(H3,14,15,16,17)
InChIKeyYXPJDQAYLAPDNP-UHFFFAOYSA-N
XLogP2.71
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-2-N-(2-tert-butylphenyl)pyrimidine-2,4-diamine
CID 116796989
6-N-[2-(methoxymethyl)phenyl]pyridine-2,6-diamine
CID 80652415
3-N-[2-(methoxymethyl)phenyl]-5-methylbenzene-1,3-diamine
CID 112647467
6-bromo-2-N-(2,6-dimethyl-3-pyridinyl)pyrimidine-2,4-diamine
CID 116797046
2-N-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 80801480
6-bromo-2-N-(2,5-diethoxyphenyl)pyrimidine-2,4-diamine
CID 116796223
6-bromo-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 116796334
5-fluoro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine
CID 80801553
2-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine
CID 114043687
6-bromo-2-N-(2-phenylpropyl)pyrimidine-2,4-diamine
CID 116797337
6-bromo-2-N-methylpyrimidine-2,4-diamine
CID 116795396
6-chloro-4-N-[2-(methoxymethyl)phenyl]pyrimidine-4,5-diamine
CID 63023250

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-N-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-bromo-2-N-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine (CID 116796734) is 6-bromo-2-N-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-bromo-2-N-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-bromo-2-N-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine is COCc1ccccc1Nc1nc(N)cc(Br)n1.
What is the InChIKey of 6-bromo-2-N-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is YXPJDQAYLAPDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c1-18-7-8-4-2-3-5-9(8)15-12-16-10(13)6-11(14)17-12/h2-6H,7H2,1H3,(H3,14,15,16,17).
What are the key properties of 6-bromo-2-N-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine?
6-bromo-2-N-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 309.17 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-N-[2-(methoxymethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 116796734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).