N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2,6-dimethylpyrimidine-4-carboxamide

C15H19N5O2 — CID 50976603

IUPACN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCn2c(C)cc(C)nc2=O)nc(C)n1
InChIInChI=1S/C15H19N5O2/c1-9-7-11(3)20(15(22)18-9)6-5-16-14(21)13-8-10(2)17-12(4)19-13/h7-8H,5-6H2,1-4H3,(H,16,21)
InChIKeyHUCQQDQJTXBRGY-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.70
Rot. Bonds4

About N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2,6-dimethylpyrimidine-4-carboxamide

N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2,6-dimethylpyrimidine-4-carboxamide (PubChem CID 50976603) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2,6-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2,6-dimethylpyrimidine-4-carboxamide
PubChem CID50976603
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCn2c(C)cc(C)nc2=O)nc(C)n1
InChIInChI=1S/C15H19N5O2/c1-9-7-11(3)20(15(22)18-9)6-5-16-14(21)13-8-10(2)17-12(4)19-13/h7-8H,5-6H2,1-4H3,(H,16,21)
InChIKeyHUCQQDQJTXBRGY-UHFFFAOYSA-N
XLogP0.70
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2,6-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2,6-dimethylpyrimidine-4-carboxamide (CID 50976603) is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2,6-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2,6-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2,6-dimethylpyrimidine-4-carboxamide is Cc1cc(C(=O)NCCn2c(C)cc(C)nc2=O)nc(C)n1.
What is the InChIKey of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2,6-dimethylpyrimidine-4-carboxamide?
The InChIKey is HUCQQDQJTXBRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-9-7-11(3)20(15(22)18-9)6-5-16-14(21)13-8-10(2)17-12(4)19-13/h7-8H,5-6H2,1-4H3,(H,16,21).
What are the key properties of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2,6-dimethylpyrimidine-4-carboxamide?
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2,6-dimethylpyrimidine-4-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2,6-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 50976603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).