5-[(3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine

C18H18N4O — CID 10828475

IUPAC5-[(3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESNc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1
InChIInChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H4,19,20,21,22)
InChIKeyPUMGLGGVAIIWCB-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.81
Rot. Bonds5

About 5-[(3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine

5-[(3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 10828475) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-[(3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID10828475
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name5-[(3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESNc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1
InChIInChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H4,19,20,21,22)
InChIKeyPUMGLGGVAIIWCB-UHFFFAOYSA-N
XLogP2.81
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-ethoxy-4-iodo-5-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 22636806
5-phenylmethoxypyrimidin-2-amine
CID 20748397
5-(dibenzo-p-dioxin-2-ylmethyl)pyrimidine-2,4-diamine
CID 627864
5-[[3-ethoxy-4-[4-(methylamino)phenyl]-5-phenylmethoxyphenyl]methyl]pyrimidine-2,4-diamine
CID 22637002
3-[(4-phenylmethoxyphenyl)methyl]pyridine-2,6-diamine
CID 110186685
5-[[3-methoxy-4-[3-(3-phenoxypropoxy)propoxy]phenyl]methyl]pyrimidine-2,4-diamine
CID 11419251
5-(5-phenylpentyl)pyrimidine-2,4-diamine
CID 134120441
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
3-benzyl-4-[(3-phenylmethoxyphenyl)methyl]-8-(trifluoromethyl)quinoline
CID 141120024
5-[[3,5-diethoxy-4-(3-methoxyphenyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 22637054
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
7-(3-bromopropyl)-5-[(3-phenylmethoxyphenyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 143458493

Frequently Asked Questions

What is the IUPAC name of 5-[(3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine (CID 10828475) is 5-[(3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine is Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1.
What is the InChIKey of 5-[(3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is PUMGLGGVAIIWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H4,19,20,21,22).
What are the key properties of 5-[(3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine?
5-[(3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 306.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 10828475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).