2-methyl-3-propan-2-yloxypyrazolo[4,3-d]pyrimidin-7-amine

C9H13N5O — CID 58158224

IUPAC2-methyl-3-propan-2-yloxypyrazolo[4,3-d]pyrimidin-7-amine
SMILESCC(C)Oc1c2ncnc(N)c2nn1C
InChIInChI=1S/C9H13N5O/c1-5(2)15-9-7-6(13-14(9)3)8(10)12-4-11-7/h4-5H,1-3H3,(H2,10,11,12)
InChIKeyQKFWSCYFJUTLHV-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.73
Rot. Bonds2

About 2-methyl-3-propan-2-yloxypyrazolo[4,3-d]pyrimidin-7-amine

2-methyl-3-propan-2-yloxypyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 58158224) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 2-methyl-3-propan-2-yloxypyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-methyl-3-propan-2-yloxypyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID58158224
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name2-methyl-3-propan-2-yloxypyrazolo[4,3-d]pyrimidin-7-amine
SMILESCC(C)Oc1c2ncnc(N)c2nn1C
InChIInChI=1S/C9H13N5O/c1-5(2)15-9-7-6(13-14(9)3)8(10)12-4-11-7/h4-5H,1-3H3,(H2,10,11,12)
InChIKeyQKFWSCYFJUTLHV-UHFFFAOYSA-N
XLogP0.73
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-2-methylpyrazolo[4,3-d]pyrimidin-7-amine
CID 88979202
9-[(6-aminopurin-9-yl)oxy-(propan-2-yloxymethyl)phosphoryl]oxypurin-6-amine
CID 69163961
2-methylpyrazolo[4,3-d]pyrimidin-7-amine
CID 91165964
5-propan-2-yloxypyrimidin-4-amine
CID 118598636
3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58269231
9-[2-[2-(6-aminopurin-9-yl)ethoxy-methylphosphoryl]oxyethyl]purin-6-amine
CID 175273885
9-[3-(1,1,1-trifluoropropan-2-yloxy)propyl]purin-6-amine
CID 66425509
[(6-aminopurin-9-yl)-propan-2-yloxymethyl]phosphonic acid
CID 69163957
(6-aminopurin-9-yl) formate
CID 57250144
methyl 4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate
CID 585243
1-(6-aminopurin-9-yl)propan-2-yloxymethylphosphonous acid
CID 144949236
9-[2-[methoxy(methyl)amino]ethyl]purin-6-amine;hydrochloride
CID 88596334

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propan-2-yloxypyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 2-methyl-3-propan-2-yloxypyrazolo[4,3-d]pyrimidin-7-amine (CID 58158224) is 2-methyl-3-propan-2-yloxypyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 2-methyl-3-propan-2-yloxypyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 2-methyl-3-propan-2-yloxypyrazolo[4,3-d]pyrimidin-7-amine is CC(C)Oc1c2ncnc(N)c2nn1C.
What is the InChIKey of 2-methyl-3-propan-2-yloxypyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is QKFWSCYFJUTLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-5(2)15-9-7-6(13-14(9)3)8(10)12-4-11-7/h4-5H,1-3H3,(H2,10,11,12).
What are the key properties of 2-methyl-3-propan-2-yloxypyrazolo[4,3-d]pyrimidin-7-amine?
2-methyl-3-propan-2-yloxypyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 207.24 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-yloxypyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 58158224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).