N,N-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperazine-2-carboxamide

C14H23N5O2 — CID 136978462

IUPACN,N-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperazine-2-carboxamide
SMILESCC(C)c1nc(N2CCNCC2C(=O)N(C)C)cc(=O)[nH]1
InChIInChI=1S/C14H23N5O2/c1-9(2)13-16-11(7-12(20)17-13)19-6-5-15-8-10(19)14(21)18(3)4/h7,9-10,15H,5-6,8H2,1-4H3,(H,16,17,20)
InChIKeyIKDWSFFGLSYNRH-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.24
Rot. Bonds3

About N,N-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperazine-2-carboxamide

N,N-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperazine-2-carboxamide (PubChem CID 136978462) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N,N-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperazine-2-carboxamide
PubChem CID136978462
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN,N-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperazine-2-carboxamide
SMILESCC(C)c1nc(N2CCNCC2C(=O)N(C)C)cc(=O)[nH]1
InChIInChI=1S/C14H23N5O2/c1-9(2)13-16-11(7-12(20)17-13)19-6-5-15-8-10(19)14(21)18(3)4/h7,9-10,15H,5-6,8H2,1-4H3,(H,16,17,20)
InChIKeyIKDWSFFGLSYNRH-UHFFFAOYSA-N
XLogP-0.24
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperazine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperazine-2-carboxamide (CID 136978462) is N,N-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperazine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperazine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperazine-2-carboxamide is CC(C)c1nc(N2CCNCC2C(=O)N(C)C)cc(=O)[nH]1.
What is the InChIKey of N,N-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperazine-2-carboxamide?
The InChIKey is IKDWSFFGLSYNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-9(2)13-16-11(7-12(20)17-13)19-6-5-15-8-10(19)14(21)18(3)4/h7,9-10,15H,5-6,8H2,1-4H3,(H,16,17,20).
What are the key properties of N,N-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperazine-2-carboxamide?
N,N-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperazine-2-carboxamide has a molecular weight of 293.37 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperazine-2-carboxamide is sourced from PubChem (CID 136978462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).