2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide

C12H17N5O — CID 55234828

IUPAC2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide
SMILESCc1cc2ncc(CNC(C)(C)C(N)=O)cn2n1
InChIInChI=1S/C12H17N5O/c1-8-4-10-14-5-9(7-17(10)16-8)6-15-12(2,3)11(13)18/h4-5,7,15H,6H2,1-3H3,(H2,13,18)
InChIKeyKMKPSLGVIIJYIW-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.39
Rot. Bonds4

About 2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide

2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide (PubChem CID 55234828) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide.

Molecular Properties

Compound Name2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide
PubChem CID55234828
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide
SMILESCc1cc2ncc(CNC(C)(C)C(N)=O)cn2n1
InChIInChI=1S/C12H17N5O/c1-8-4-10-14-5-9(7-17(10)16-8)6-15-12(2,3)11(13)18/h4-5,7,15H,6H2,1-3H3,(H2,13,18)
InChIKeyKMKPSLGVIIJYIW-UHFFFAOYSA-N
XLogP0.39
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dimethyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]butan-2-ol
CID 103993421
2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]acetamide
CID 62404238
3-ethyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pentan-3-amine
CID 65039866
4-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]benzamide
CID 62402815
2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pentan-2-amine
CID 115600931
ethyl 2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]acetate
CID 55234827
N-tert-butyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide
CID 115600363
5-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103934149
N,N-dimethyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide
CID 55219703
6-ethyl-2-methylpyrazolo[1,5-a]pyrimidine
CID 12773561
1-(dimethylamino)-2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propan-2-ol
CID 103839026
2,4-dimethyl-1-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-2-ol
CID 66181252

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide?
The IUPAC name of 2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide (CID 55234828) is 2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide.
What is the SMILES notation for 2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide?
The canonical SMILES for 2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide is Cc1cc2ncc(CNC(C)(C)C(N)=O)cn2n1.
What is the InChIKey of 2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide?
The InChIKey is KMKPSLGVIIJYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8-4-10-14-5-9(7-17(10)16-8)6-15-12(2,3)11(13)18/h4-5,7,15H,6H2,1-3H3,(H2,13,18).
What are the key properties of 2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide?
2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide has a molecular weight of 247.30 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propanamide is sourced from PubChem (CID 55234828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).