4-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide

C13H19N5O3 — CID 155962141

IUPAC4-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C(C)C)[nH]c(=O)c1C(=O)NC1CN(C)NC1=O
InChIInChI=1S/C13H19N5O3/c1-6(2)10-14-7(3)9(13(21)16-10)12(20)15-8-5-18(4)17-11(8)19/h6,8H,5H2,1-4H3,(H,15,20)(H,17,19)(H,14,16,21)
InChIKeyNVUASLYJTRIMNP-UHFFFAOYSA-N
MW293.33 g/mol
LogP-0.72
Rot. Bonds3

About 4-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide

4-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide (PubChem CID 155962141) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
PubChem CID155962141
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name4-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C(C)C)[nH]c(=O)c1C(=O)NC1CN(C)NC1=O
InChIInChI=1S/C13H19N5O3/c1-6(2)10-14-7(3)9(13(21)16-10)12(20)15-8-5-18(4)17-11(8)19/h6,8H,5H2,1-4H3,(H,15,20)(H,17,19)(H,14,16,21)
InChIKeyNVUASLYJTRIMNP-UHFFFAOYSA-N
XLogP-0.72
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide (CID 155962141) is 4-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide is Cc1nc(C(C)C)[nH]c(=O)c1C(=O)NC1CN(C)NC1=O.
What is the InChIKey of 4-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is NVUASLYJTRIMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-6(2)10-14-7(3)9(13(21)16-10)12(20)15-8-5-18(4)17-11(8)19/h6,8H,5H2,1-4H3,(H,15,20)(H,17,19)(H,14,16,21).
What are the key properties of 4-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
4-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 293.33 g/mol, XLogP of -0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-methyl-3-oxopyrazolidin-4-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 155962141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).