N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C12H14N6S — CID 99782514

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCc1nc(CN(C)c2ncnc3[nH]ncc23)cs1
InChIInChI=1S/C12H14N6S/c1-3-10-16-8(6-19-10)5-18(2)12-9-4-15-17-11(9)13-7-14-12/h4,6-7H,3,5H2,1-2H3,(H,13,14,15,17)
InChIKeyIHCNZLRGFXKSOL-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.01
Rot. Bonds4

About N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 99782514) has the molecular formula C12H14N6S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID99782514
Molecular FormulaC12H14N6S
Molecular Weight274.35 g/mol
Exact Mass274.10
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCc1nc(CN(C)c2ncnc3[nH]ncc23)cs1
InChIInChI=1S/C12H14N6S/c1-3-10-16-8(6-19-10)5-18(2)12-9-4-15-17-11(9)13-7-14-12/h4,6-7H,3,5H2,1-2H3,(H,13,14,15,17)
InChIKeyIHCNZLRGFXKSOL-UHFFFAOYSA-N
XLogP2.01
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 99782514) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine is CCc1nc(CN(C)c2ncnc3[nH]ncc23)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is IHCNZLRGFXKSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6S/c1-3-10-16-8(6-19-10)5-18(2)12-9-4-15-17-11(9)13-7-14-12/h4,6-7H,3,5H2,1-2H3,(H,13,14,15,17).
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 274.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 99782514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).