3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide

C17H20N6O2 — CID 51106825

IUPAC3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide
SMILESCc1nccc(CNC(=O)CCc2c(C)nc3cc(=O)[nH]n3c2C)n1
InChIInChI=1S/C17H20N6O2/c1-10-14(11(2)23-15(20-10)8-17(25)22-23)4-5-16(24)19-9-13-6-7-18-12(3)21-13/h6-8H,4-5,9H2,1-3H3,(H,19,24)(H,22,25)
InChIKeyNMTDETZZTXWFAP-UHFFFAOYSA-N
MW340.39 g/mol
LogP0.99
Rot. Bonds5

About 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide

3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide (PubChem CID 51106825) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide
PubChem CID51106825
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide
SMILESCc1nccc(CNC(=O)CCc2c(C)nc3cc(=O)[nH]n3c2C)n1
InChIInChI=1S/C17H20N6O2/c1-10-14(11(2)23-15(20-10)8-17(25)22-23)4-5-16(24)19-9-13-6-7-18-12(3)21-13/h6-8H,4-5,9H2,1-3H3,(H,19,24)(H,22,25)
InChIKeyNMTDETZZTXWFAP-UHFFFAOYSA-N
XLogP0.99
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide?
The IUPAC name of 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide (CID 51106825) is 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide?
The canonical SMILES for 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide is Cc1nccc(CNC(=O)CCc2c(C)nc3cc(=O)[nH]n3c2C)n1.
What is the InChIKey of 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide?
The InChIKey is NMTDETZZTXWFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-10-14(11(2)23-15(20-10)8-17(25)22-23)4-5-16(24)19-9-13-6-7-18-12(3)21-13/h6-8H,4-5,9H2,1-3H3,(H,19,24)(H,22,25).
What are the key properties of 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide?
3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide has a molecular weight of 340.39 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide is sourced from PubChem (CID 51106825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).