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

C13H16N4O — CID 10705453

IUPAC5-[[2-(methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCOCc1ccccc1Cc1cnc(N)nc1N
InChIInChI=1S/C13H16N4O/c1-18-8-10-5-3-2-4-9(10)6-11-7-16-13(15)17-12(11)14/h2-5,7H,6,8H2,1H3,(H4,14,15,16,17)
InChIKeyXFUNKGSOGJBGBX-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.38
Rot. Bonds4

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

5-[[2-(methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine (PubChem CID 10705453) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-[[2-(methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[2-(methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine
PubChem CID10705453
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5-[[2-(methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCOCc1ccccc1Cc1cnc(N)nc1N
InChIInChI=1S/C13H16N4O/c1-18-8-10-5-3-2-4-9(10)6-11-7-16-13(15)17-12(11)14/h2-5,7H,6,8H2,1H3,(H4,14,15,16,17)
InChIKeyXFUNKGSOGJBGBX-UHFFFAOYSA-N
XLogP1.38
TPSA87.05 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 ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ormetoprim
CID 23418
2,4-Pyrimidinediamine, 5-((3-methoxyphenyl)methyl)-
CID 101067
2,4-Pyrimidinediamine, 5-((4-methoxyphenyl)methyl)-
CID 88462
5-[(4-Butoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 623352
2,4-NH2Pyrimidin,5(35-ME-4-meo)benzyl
CID 12655201
5-[[4-Methoxy-3,5-di(propan-2-yl)phenyl]methyl]pyrimidine-2,4-diamine
CID 12655203
2-{3-[(4-Amino-2-Methylpyrimidin-5-Yl)methyl]phenyl}ethanol
CID 11160875
{3-[(4-Amino-2-Methylpyrimidin-5-Yl)methyl]phenyl}methanol
CID 77620524
5-(4-Methoxy-3,5-dipropenyl-benzyl)-pyrimidine-2,4-diamine
CID 14570150
5-(4-Isobutoxy-benzyl)-pyrimidine-2,4-diamine
CID 739795
2,4-Pyrimidinediamine, 5-[[4-(1-methylethoxy)phenyl]methyl]-
CID 826184
5-(3-Ethoxy-benzyl)-pyrimidine-2,4-diamine
CID 10634047

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[2-(methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine (CID 10705453) is 5-[[2-(methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[2-(methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[2-(methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine is COCc1ccccc1Cc1cnc(N)nc1N.
What is the InChIKey of 5-[[2-(methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is XFUNKGSOGJBGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-18-8-10-5-3-2-4-9(10)6-11-7-16-13(15)17-12(11)14/h2-5,7H,6,8H2,1H3,(H4,14,15,16,17).
What are the key properties of 5-[[2-(methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine?
5-[[2-(methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 244.30 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 10705453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).