1-(cyclopropylmethyl)-4-methoxypyrazolo[5,4-d]pyrimidin-6-amine

C10H13N5O — CID 167822267

IUPAC1-(cyclopropylmethyl)-4-methoxypyrazolo[5,4-d]pyrimidin-6-amine
SMILESCOc1nc(N)nc2c1cnn2CC1CC1
InChIInChI=1S/C10H13N5O/c1-16-9-7-4-12-15(5-6-2-3-6)8(7)13-10(11)14-9/h4,6H,2-3,5H2,1H3,(H2,11,13,14)
InChIKeyZHFOYHYBFXCXDB-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.83
Rot. Bonds3

About 1-(cyclopropylmethyl)-4-methoxypyrazolo[5,4-d]pyrimidin-6-amine

1-(cyclopropylmethyl)-4-methoxypyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 167822267) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-methoxypyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-methoxypyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID167822267
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name1-(cyclopropylmethyl)-4-methoxypyrazolo[5,4-d]pyrimidin-6-amine
SMILESCOc1nc(N)nc2c1cnn2CC1CC1
InChIInChI=1S/C10H13N5O/c1-16-9-7-4-12-15(5-6-2-3-6)8(7)13-10(11)14-9/h4,6H,2-3,5H2,1H3,(H2,11,13,14)
InChIKeyZHFOYHYBFXCXDB-UHFFFAOYSA-N
XLogP0.83
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-methoxypyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 1-(cyclopropylmethyl)-4-methoxypyrazolo[5,4-d]pyrimidin-6-amine (CID 167822267) is 1-(cyclopropylmethyl)-4-methoxypyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-methoxypyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 1-(cyclopropylmethyl)-4-methoxypyrazolo[5,4-d]pyrimidin-6-amine is COc1nc(N)nc2c1cnn2CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-methoxypyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is ZHFOYHYBFXCXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-16-9-7-4-12-15(5-6-2-3-6)8(7)13-10(11)14-9/h4,6H,2-3,5H2,1H3,(H2,11,13,14).
What are the key properties of 1-(cyclopropylmethyl)-4-methoxypyrazolo[5,4-d]pyrimidin-6-amine?
1-(cyclopropylmethyl)-4-methoxypyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 219.25 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-methoxypyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 167822267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).