1-(4-methoxyphenyl)-N,N-dipropylpyrazolo[5,4-d]pyrimidin-4-amine

C18H23N5O — CID 2941340

IUPAC1-(4-methoxyphenyl)-N,N-dipropylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCCN(CCC)c1ncnc2c1cnn2-c1ccc(OC)cc1
InChIInChI=1S/C18H23N5O/c1-4-10-22(11-5-2)17-16-12-21-23(18(16)20-13-19-17)14-6-8-15(24-3)9-7-14/h6-9,12-13H,4-5,10-11H2,1-3H3
InChIKeyHIHZFTNEEQAKJI-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.45
Rot. Bonds7

About 1-(4-methoxyphenyl)-N,N-dipropylpyrazolo[5,4-d]pyrimidin-4-amine

1-(4-methoxyphenyl)-N,N-dipropylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 2941340) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N,N-dipropylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N,N-dipropylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID2941340
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-(4-methoxyphenyl)-N,N-dipropylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCCN(CCC)c1ncnc2c1cnn2-c1ccc(OC)cc1
InChIInChI=1S/C18H23N5O/c1-4-10-22(11-5-2)17-16-12-21-23(18(16)20-13-19-17)14-6-8-15(24-3)9-7-14/h6-9,12-13H,4-5,10-11H2,1-3H3
InChIKeyHIHZFTNEEQAKJI-UHFFFAOYSA-N
XLogP3.45
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N,N-dipropylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N,N-dipropylpyrazolo[5,4-d]pyrimidin-4-amine (CID 2941340) is 1-(4-methoxyphenyl)-N,N-dipropylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N,N-dipropylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N,N-dipropylpyrazolo[5,4-d]pyrimidin-4-amine is CCCN(CCC)c1ncnc2c1cnn2-c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N,N-dipropylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is HIHZFTNEEQAKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-4-10-22(11-5-2)17-16-12-21-23(18(16)20-13-19-17)14-6-8-15(24-3)9-7-14/h6-9,12-13H,4-5,10-11H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N,N-dipropylpyrazolo[5,4-d]pyrimidin-4-amine?
1-(4-methoxyphenyl)-N,N-dipropylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 325.42 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N,N-dipropylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 2941340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).