4-N-cyclopropyl-3-methoxy-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

C9H12N6O — CID 178106890

IUPAC4-N-cyclopropyl-3-methoxy-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCOc1n[nH]c2nc(N)nc(NC3CC3)c12
InChIInChI=1S/C9H12N6O/c1-16-8-5-6(11-4-2-3-4)12-9(10)13-7(5)14-15-8/h4H,2-3H2,1H3,(H4,10,11,12,13,14,15)
InChIKeyMADHXEOTYRNNFQ-UHFFFAOYSA-N
MW220.24 g/mol
LogP0.52
Rot. Bonds3

About 4-N-cyclopropyl-3-methoxy-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

4-N-cyclopropyl-3-methoxy-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (PubChem CID 178106890) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 4-N-cyclopropyl-3-methoxy-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-3-methoxy-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
PubChem CID178106890
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name4-N-cyclopropyl-3-methoxy-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCOc1n[nH]c2nc(N)nc(NC3CC3)c12
InChIInChI=1S/C9H12N6O/c1-16-8-5-6(11-4-2-3-4)12-9(10)13-7(5)14-15-8/h4H,2-3H2,1H3,(H4,10,11,12,13,14,15)
InChIKeyMADHXEOTYRNNFQ-UHFFFAOYSA-N
XLogP0.52
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 596791
4-methoxy-1H-pyrazolo[3,4-d]pyrimidine
CID 221096
4-Methoxy-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 11252197
3-iodo-4-methoxy-2H-pyrazolo[3,4-d]pyrimidine
CID 10540384
4-methoxy-N,N-dimethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 10867185
3-Iodo-4-methoxy-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 11150467
4,6-dimethoxy-1H-pyrazolo[3,4-d]pyrimidine
CID 50999375
1-tert-butyl-3-methoxy-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine
CID 59633537
3-ethoxy-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 67034454
6-chloro-3-iodo-4-methoxy-1H-pyrazolo[3,4-d]pyrimidine
CID 90421208
1-Cyclopropyl-3-ethoxypyrazolo[3,4-d]pyrimidin-4-amine
CID 137500773
3-methoxy-1H-pyrazolo[3,4-d]pyrimidine
CID 141301287

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-3-methoxy-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-3-methoxy-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (CID 178106890) is 4-N-cyclopropyl-3-methoxy-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-3-methoxy-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-3-methoxy-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is COc1n[nH]c2nc(N)nc(NC3CC3)c12.
What is the InChIKey of 4-N-cyclopropyl-3-methoxy-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is MADHXEOTYRNNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c1-16-8-5-6(11-4-2-3-4)12-9(10)13-7(5)14-15-8/h4H,2-3H2,1H3,(H4,10,11,12,13,14,15).
What are the key properties of 4-N-cyclopropyl-3-methoxy-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
4-N-cyclopropyl-3-methoxy-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 220.24 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-3-methoxy-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 178106890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).