3-methoxy-2-methylpyrazolo[4,3-d]pyrimidin-7-amine

C7H9N5O — CID 88979202

IUPAC3-methoxy-2-methylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCOc1c2ncnc(N)c2nn1C
InChIInChI=1S/C7H9N5O/c1-12-7(13-2)5-4(11-12)6(8)10-3-9-5/h3H,1-2H3,(H2,8,9,10)
InChIKeyWVVSGGNDONCVTK-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.05
Rot. Bonds1

About 3-methoxy-2-methylpyrazolo[4,3-d]pyrimidin-7-amine

3-methoxy-2-methylpyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 88979202) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 3-methoxy-2-methylpyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-methoxy-2-methylpyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID88979202
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name3-methoxy-2-methylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCOc1c2ncnc(N)c2nn1C
InChIInChI=1S/C7H9N5O/c1-12-7(13-2)5-4(11-12)6(8)10-3-9-5/h3H,1-2H3,(H2,8,9,10)
InChIKeyWVVSGGNDONCVTK-UHFFFAOYSA-N
XLogP-0.05
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-propan-2-yloxypyrazolo[4,3-d]pyrimidin-7-amine
CID 58158224
2-methylpyrazolo[4,3-d]pyrimidin-7-amine
CID 91165964
9-[2-[methoxy(methyl)amino]ethyl]purin-6-amine;hydrochloride
CID 88596334
9-[2-(methoxymethylamino)ethyl]purin-6-amine
CID 67932489
8-(4-methoxyphenyl)-9-methylpurin-6-amine
CID 69468314
2-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 131113806
(6-aminopurin-9-yl) formate
CID 57250144
1-methyl-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine
CID 131107177
methyl 4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate
CID 585243
9-(3-chloro-4-methoxyphenyl)purin-6-amine
CID 171806311
9-(2-methoxyiminoethyl)purin-6-amine
CID 173359043
5-[2-(6-aminopurin-9-yl)ethoxy]-10,15,20,25,27,29,31,33,35-nonamethoxyhexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8(33),9,11(32),13(31),14,16(30),18,20,23,26,28,34-pentadecaene-4,9,14,19,24,26,28,30,32,34-decol
CID 122383923

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methylpyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 3-methoxy-2-methylpyrazolo[4,3-d]pyrimidin-7-amine (CID 88979202) is 3-methoxy-2-methylpyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 3-methoxy-2-methylpyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 3-methoxy-2-methylpyrazolo[4,3-d]pyrimidin-7-amine is COc1c2ncnc(N)c2nn1C.
What is the InChIKey of 3-methoxy-2-methylpyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is WVVSGGNDONCVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-12-7(13-2)5-4(11-12)6(8)10-3-9-5/h3H,1-2H3,(H2,8,9,10).
What are the key properties of 3-methoxy-2-methylpyrazolo[4,3-d]pyrimidin-7-amine?
3-methoxy-2-methylpyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 179.18 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methylpyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 88979202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).