N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C12H13N5O — CID 99809761

IUPACN-[(1S)-1-(5-methylfuran-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccc([C@H](C)Nc2ncnc3[nH]ncc23)o1
InChIInChI=1S/C12H13N5O/c1-7-3-4-10(18-7)8(2)16-11-9-5-15-17-12(9)14-6-13-11/h3-6,8H,1-2H3,(H2,13,14,15,16,17)/t8-/m0/s1
InChIKeyHOLDRCRVQQRKNZ-QMMMGPOBSA-N
MW243.27 g/mol
LogP2.43
Rot. Bonds3

About N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 99809761) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(5-methylfuran-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID99809761
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC NameN-[(1S)-1-(5-methylfuran-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccc([C@H](C)Nc2ncnc3[nH]ncc23)o1
InChIInChI=1S/C12H13N5O/c1-7-3-4-10(18-7)8(2)16-11-9-5-15-17-12(9)14-6-13-11/h3-6,8H,1-2H3,(H2,13,14,15,16,17)/t8-/m0/s1
InChIKeyHOLDRCRVQQRKNZ-QMMMGPOBSA-N
XLogP2.43
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 99809761) is N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Cc1ccc([C@H](C)Nc2ncnc3[nH]ncc23)o1.
What is the InChIKey of N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is HOLDRCRVQQRKNZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H13N5O/c1-7-3-4-10(18-7)8(2)16-11-9-5-15-17-12(9)14-6-13-11/h3-6,8H,1-2H3,(H2,13,14,15,16,17)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 243.27 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 99809761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).