3-(3,4-dihydro-2H-chromen-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C17H19N5O — CID 54582501

IUPAC3-(3,4-dihydro-2H-chromen-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2ccc3c(c2)CCCO3)c2c(N)ncnc21
InChIInChI=1S/C17H19N5O/c1-10(2)22-17-14(16(18)19-9-20-17)15(21-22)12-5-6-13-11(8-12)4-3-7-23-13/h5-6,8-10H,3-4,7H2,1-2H3,(H2,18,19,20)
InChIKeyQGKJNBCCMVIKIT-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.98
Rot. Bonds2

About 3-(3,4-dihydro-2H-chromen-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-(3,4-dihydro-2H-chromen-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 54582501) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID54582501
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name3-(3,4-dihydro-2H-chromen-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2ccc3c(c2)CCCO3)c2c(N)ncnc21
InChIInChI=1S/C17H19N5O/c1-10(2)22-17-14(16(18)19-9-20-17)15(21-22)12-5-6-13-11(8-12)4-3-7-23-13/h5-6,8-10H,3-4,7H2,1-2H3,(H2,18,19,20)
InChIKeyQGKJNBCCMVIKIT-UHFFFAOYSA-N
XLogP2.98
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 54582501) is 3-(3,4-dihydro-2H-chromen-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1nc(-c2ccc3c(c2)CCCO3)c2c(N)ncnc21.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is QGKJNBCCMVIKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-10(2)22-17-14(16(18)19-9-20-17)15(21-22)12-5-6-13-11(8-12)4-3-7-23-13/h5-6,8-10H,3-4,7H2,1-2H3,(H2,18,19,20).
What are the key properties of 3-(3,4-dihydro-2H-chromen-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(3,4-dihydro-2H-chromen-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 309.37 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 54582501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).