(4R)-N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C14H20ClN5O2 — CID 95225709

IUPAC(4R)-N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)NCCn2nc(C)c(Cl)c2C)[C@@H](C)NC(=O)N1
InChIInChI=1S/C14H20ClN5O2/c1-7-11(8(2)18-14(22)17-7)13(21)16-5-6-20-10(4)12(15)9(3)19-20/h7H,5-6H2,1-4H3,(H,16,21)(H2,17,18,22)/t7-/m1/s1
InChIKeyKXADENMCDXYEOU-SSDOTTSWSA-N
MW325.80 g/mol
LogP1.24
Rot. Bonds4

About (4R)-N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

(4R)-N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 95225709) has the molecular formula C14H20ClN5O2 and a molecular weight of 325.80 g/mol. Its IUPAC name is (4R)-N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(4R)-N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID95225709
Molecular FormulaC14H20ClN5O2
Molecular Weight325.80 g/mol
Exact Mass325.13
IUPAC Name(4R)-N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)NCCn2nc(C)c(Cl)c2C)[C@@H](C)NC(=O)N1
InChIInChI=1S/C14H20ClN5O2/c1-7-11(8(2)18-14(22)17-7)13(21)16-5-6-20-10(4)12(15)9(3)19-20/h7H,5-6H2,1-4H3,(H,16,21)(H2,17,18,22)/t7-/m1/s1
InChIKeyKXADENMCDXYEOU-SSDOTTSWSA-N
XLogP1.24
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of (4R)-N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 95225709) is (4R)-N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for (4R)-N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for (4R)-N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)NCCn2nc(C)c(Cl)c2C)[C@@H](C)NC(=O)N1.
What is the InChIKey of (4R)-N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is KXADENMCDXYEOU-SSDOTTSWSA-N. The full InChI is InChI=1S/C14H20ClN5O2/c1-7-11(8(2)18-14(22)17-7)13(21)16-5-6-20-10(4)12(15)9(3)19-20/h7H,5-6H2,1-4H3,(H,16,21)(H2,17,18,22)/t7-/m1/s1.
What are the key properties of (4R)-N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
(4R)-N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 325.80 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 95225709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).