4-N-[3-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine

C13H16N4O — CID 112726133

IUPAC4-N-[3-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine
SMILESCOCc1cccc(Nc2cc(C)nc(N)n2)c1
InChIInChI=1S/C13H16N4O/c1-9-6-12(17-13(14)15-9)16-11-5-3-4-10(7-11)8-18-2/h3-7H,8H2,1-2H3,(H3,14,15,16,17)
InChIKeySVFOKVPKODJAMJ-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.26
Rot. Bonds4

About 4-N-[3-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine

4-N-[3-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 112726133) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-N-[3-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine
PubChem CID112726133
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-N-[3-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine
SMILESCOCc1cccc(Nc2cc(C)nc(N)n2)c1
InChIInChI=1S/C13H16N4O/c1-9-6-12(17-13(14)15-9)16-11-5-3-4-10(7-11)8-18-2/h3-7H,8H2,1-2H3,(H3,14,15,16,17)
InChIKeySVFOKVPKODJAMJ-UHFFFAOYSA-N
XLogP2.26
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(2-amino-6-methylpyrimidin-4-yl)amino]phenyl]methanol;hydrochloride
CID 54604691
6-N-[3-(methoxymethyl)phenyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717930
N-[3-(aminomethyl)phenyl]-2,6-dimethylpyrimidin-4-amine
CID 63767610
5-fluoro-4-N-[3-(methoxymethyl)phenyl]pyrimidine-2,4-diamine
CID 80802102
4-[3-(methoxymethyl)anilino]-2,6-dimethylpyridine-3-carbothioamide
CID 81060482
2-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazole-2,5-diamine
CID 103436854
5-N-[3-(methoxymethyl)phenyl]-1,3-dimethylpyrazole-4,5-diamine
CID 54965215
2,3,5,6-tetrafluoro-N-[3-(methoxymethyl)phenyl]pyridin-4-amine
CID 79904677
3-(methoxymethyl)-N-methylaniline
CID 23080905
4-N-(3-fluoro-4-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112726031
4-N-[(3-bromophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 78983069
4,5-dimethoxy-2-N-[3-(methoxymethyl)phenyl]benzene-1,2-diamine
CID 83004428

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine (CID 112726133) is 4-N-[3-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine is COCc1cccc(Nc2cc(C)nc(N)n2)c1.
What is the InChIKey of 4-N-[3-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is SVFOKVPKODJAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-6-12(17-13(14)15-9)16-11-5-3-4-10(7-11)8-18-2/h3-7H,8H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 4-N-[3-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine?
4-N-[3-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 244.30 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112726133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).