1-methyl-7-(4-phenoxyphenoxy)pyrazolo[4,5-d]pyrimidine

C18H14N4O2 — CID 130312780

IUPAC1-methyl-7-(4-phenoxyphenoxy)pyrazolo[4,5-d]pyrimidine
SMILESCn1ncc2ncnc(Oc3ccc(Oc4ccccc4)cc3)c21
InChIInChI=1S/C18H14N4O2/c1-22-17-16(11-21-22)19-12-20-18(17)24-15-9-7-14(8-10-15)23-13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyGELXXRXFFBAPBH-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.95
Rot. Bonds4

About 1-methyl-7-(4-phenoxyphenoxy)pyrazolo[4,5-d]pyrimidine

1-methyl-7-(4-phenoxyphenoxy)pyrazolo[4,5-d]pyrimidine (PubChem CID 130312780) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 1-methyl-7-(4-phenoxyphenoxy)pyrazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name1-methyl-7-(4-phenoxyphenoxy)pyrazolo[4,5-d]pyrimidine
PubChem CID130312780
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name1-methyl-7-(4-phenoxyphenoxy)pyrazolo[4,5-d]pyrimidine
SMILESCn1ncc2ncnc(Oc3ccc(Oc4ccccc4)cc3)c21
InChIInChI=1S/C18H14N4O2/c1-22-17-16(11-21-22)19-12-20-18(17)24-15-9-7-14(8-10-15)23-13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyGELXXRXFFBAPBH-UHFFFAOYSA-N
XLogP3.95
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-4-phenoxypyrrolo[3,2-d]pyrimidine
CID 91243415
N-[2-[4-(4-phenoxyphenoxy)pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]propanamide
CID 163935274
2-methyl-5-phenoxypyridazin-3-one
CID 10750618
1,4-dimethyl-5-(4-phenoxyphenyl)pyrazole
CID 22088063
N-methyl-4-(5-methylpyrrolo[3,2-d]pyrimidin-4-yl)oxyaniline
CID 143388806
3-[[4-(4-phenoxyphenoxy)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]azetidine-1-carbonitrile
CID 90646606
7-benzyl-9-methyl-6-phenoxypurin-8-one
CID 73293008
4-(3-methoxyphenoxy)-1-methylpyrazolo[5,4-d]pyrimidine
CID 154460653
1-phenyl-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine
CID 8539191
1-[3-[4-(4-phenoxyphenoxy)pyrrolo[3,2-d]pyrimidin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 90646060
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
N-methyl-4-quinazolin-4-yloxyaniline
CID 61027989

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(4-phenoxyphenoxy)pyrazolo[4,5-d]pyrimidine?
The IUPAC name of 1-methyl-7-(4-phenoxyphenoxy)pyrazolo[4,5-d]pyrimidine (CID 130312780) is 1-methyl-7-(4-phenoxyphenoxy)pyrazolo[4,5-d]pyrimidine.
What is the SMILES notation for 1-methyl-7-(4-phenoxyphenoxy)pyrazolo[4,5-d]pyrimidine?
The canonical SMILES for 1-methyl-7-(4-phenoxyphenoxy)pyrazolo[4,5-d]pyrimidine is Cn1ncc2ncnc(Oc3ccc(Oc4ccccc4)cc3)c21.
What is the InChIKey of 1-methyl-7-(4-phenoxyphenoxy)pyrazolo[4,5-d]pyrimidine?
The InChIKey is GELXXRXFFBAPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-22-17-16(11-21-22)19-12-20-18(17)24-15-9-7-14(8-10-15)23-13-5-3-2-4-6-13/h2-12H,1H3.
What are the key properties of 1-methyl-7-(4-phenoxyphenoxy)pyrazolo[4,5-d]pyrimidine?
1-methyl-7-(4-phenoxyphenoxy)pyrazolo[4,5-d]pyrimidine has a molecular weight of 318.34 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-(4-phenoxyphenoxy)pyrazolo[4,5-d]pyrimidine is sourced from PubChem (CID 130312780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).