2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide

C12H17N5O2 — CID 119888547

IUPAC2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)C(C)N
InChIInChI=1S/C12H17N5O2/c1-6(13)12(19)14-5-9-7(2)15-10-4-11(18)16-17(10)8(9)3/h4,6H,5,13H2,1-3H3,(H,14,19)(H,16,18)
InChIKeyKSGJJRIUIQTXHZ-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.40
Rot. Bonds3

About 2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide

2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide (PubChem CID 119888547) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide
PubChem CID119888547
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)C(C)N
InChIInChI=1S/C12H17N5O2/c1-6(13)12(19)14-5-9-7(2)15-10-4-11(18)16-17(10)8(9)3/h4,6H,5,13H2,1-3H3,(H,14,19)(H,16,18)
InChIKeyKSGJJRIUIQTXHZ-UHFFFAOYSA-N
XLogP-0.40
TPSA105.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide?
The IUPAC name of 2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide (CID 119888547) is 2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide.
What is the SMILES notation for 2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide?
The canonical SMILES for 2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide is Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)C(C)N.
What is the InChIKey of 2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide?
The InChIKey is KSGJJRIUIQTXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-6(13)12(19)14-5-9-7(2)15-10-4-11(18)16-17(10)8(9)3/h4,6H,5,13H2,1-3H3,(H,14,19)(H,16,18).
What are the key properties of 2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide?
2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide has a molecular weight of 263.30 g/mol, XLogP of -0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide is sourced from PubChem (CID 119888547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).