N-[[4-(dimethylamino)oxan-4-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C13H20N6O — CID 133312201

IUPACN-[[4-(dimethylamino)oxan-4-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(C)C1(CNc2ncnc3[nH]ncc23)CCOCC1
InChIInChI=1S/C13H20N6O/c1-19(2)13(3-5-20-6-4-13)8-14-11-10-7-17-18-12(10)16-9-15-11/h7,9H,3-6,8H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyKXYJPZRAYQQQCY-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.88
Rot. Bonds4

About N-[[4-(dimethylamino)oxan-4-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[[4-(dimethylamino)oxan-4-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 133312201) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[[4-(dimethylamino)oxan-4-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID133312201
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC NameN-[[4-(dimethylamino)oxan-4-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN(C)C1(CNc2ncnc3[nH]ncc23)CCOCC1
InChIInChI=1S/C13H20N6O/c1-19(2)13(3-5-20-6-4-13)8-14-11-10-7-17-18-12(10)16-9-15-11/h7,9H,3-6,8H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyKXYJPZRAYQQQCY-UHFFFAOYSA-N
XLogP0.88
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 133312201) is N-[[4-(dimethylamino)oxan-4-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[4-(dimethylamino)oxan-4-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[[4-(dimethylamino)oxan-4-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is CN(C)C1(CNc2ncnc3[nH]ncc23)CCOCC1.
What is the InChIKey of N-[[4-(dimethylamino)oxan-4-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is KXYJPZRAYQQQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-19(2)13(3-5-20-6-4-13)8-14-11-10-7-17-18-12(10)16-9-15-11/h7,9H,3-6,8H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of N-[[4-(dimethylamino)oxan-4-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[[4-(dimethylamino)oxan-4-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 276.34 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)oxan-4-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 133312201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).