2-[(2,6-dimethoxyphenyl)methyl]-7-N-pentan-2-ylpyrazolo[4,3-d]pyrimidine-5,7-diamine

C19H26N6O2 — CID 168839301

IUPAC2-[(2,6-dimethoxyphenyl)methyl]-7-N-pentan-2-ylpyrazolo[4,3-d]pyrimidine-5,7-diamine
SMILESCCCC(C)Nc1nc(N)nc2cn(Cc3c(OC)cccc3OC)nc12
InChIInChI=1S/C19H26N6O2/c1-5-7-12(2)21-18-17-14(22-19(20)23-18)11-25(24-17)10-13-15(26-3)8-6-9-16(13)27-4/h6,8-9,11-12H,5,7,10H2,1-4H3,(H3,20,21,22,23)
InChIKeyKIPNJNQOSLXKEU-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.07
Rot. Bonds8

About 2-[(2,6-dimethoxyphenyl)methyl]-7-N-pentan-2-ylpyrazolo[4,3-d]pyrimidine-5,7-diamine

2-[(2,6-dimethoxyphenyl)methyl]-7-N-pentan-2-ylpyrazolo[4,3-d]pyrimidine-5,7-diamine (PubChem CID 168839301) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-[(2,6-dimethoxyphenyl)methyl]-7-N-pentan-2-ylpyrazolo[4,3-d]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name2-[(2,6-dimethoxyphenyl)methyl]-7-N-pentan-2-ylpyrazolo[4,3-d]pyrimidine-5,7-diamine
PubChem CID168839301
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name2-[(2,6-dimethoxyphenyl)methyl]-7-N-pentan-2-ylpyrazolo[4,3-d]pyrimidine-5,7-diamine
SMILESCCCC(C)Nc1nc(N)nc2cn(Cc3c(OC)cccc3OC)nc12
InChIInChI=1S/C19H26N6O2/c1-5-7-12(2)21-18-17-14(22-19(20)23-18)11-25(24-17)10-13-15(26-3)8-6-9-16(13)27-4/h6,8-9,11-12H,5,7,10H2,1-4H3,(H3,20,21,22,23)
InChIKeyKIPNJNQOSLXKEU-UHFFFAOYSA-N
XLogP3.07
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethoxyphenyl)methyl]-7-N-pentan-2-ylpyrazolo[4,3-d]pyrimidine-5,7-diamine?
The IUPAC name of 2-[(2,6-dimethoxyphenyl)methyl]-7-N-pentan-2-ylpyrazolo[4,3-d]pyrimidine-5,7-diamine (CID 168839301) is 2-[(2,6-dimethoxyphenyl)methyl]-7-N-pentan-2-ylpyrazolo[4,3-d]pyrimidine-5,7-diamine.
What is the SMILES notation for 2-[(2,6-dimethoxyphenyl)methyl]-7-N-pentan-2-ylpyrazolo[4,3-d]pyrimidine-5,7-diamine?
The canonical SMILES for 2-[(2,6-dimethoxyphenyl)methyl]-7-N-pentan-2-ylpyrazolo[4,3-d]pyrimidine-5,7-diamine is CCCC(C)Nc1nc(N)nc2cn(Cc3c(OC)cccc3OC)nc12.
What is the InChIKey of 2-[(2,6-dimethoxyphenyl)methyl]-7-N-pentan-2-ylpyrazolo[4,3-d]pyrimidine-5,7-diamine?
The InChIKey is KIPNJNQOSLXKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-5-7-12(2)21-18-17-14(22-19(20)23-18)11-25(24-17)10-13-15(26-3)8-6-9-16(13)27-4/h6,8-9,11-12H,5,7,10H2,1-4H3,(H3,20,21,22,23).
What are the key properties of 2-[(2,6-dimethoxyphenyl)methyl]-7-N-pentan-2-ylpyrazolo[4,3-d]pyrimidine-5,7-diamine?
2-[(2,6-dimethoxyphenyl)methyl]-7-N-pentan-2-ylpyrazolo[4,3-d]pyrimidine-5,7-diamine has a molecular weight of 370.46 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethoxyphenyl)methyl]-7-N-pentan-2-ylpyrazolo[4,3-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 168839301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).