N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-propylpyrimidine-5-carboxamide

C15H19N5O2 — CID 137021865

IUPACN-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)NCCc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C15H19N5O2/c1-3-4-12-11(8-16-9-18-12)15(22)17-6-5-13-19-10(2)7-14(21)20-13/h7-9H,3-6H2,1-2H3,(H,17,22)(H,19,20,21)
InChIKeyWVDILFDMNDWJSO-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.79
Rot. Bonds6

About N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-propylpyrimidine-5-carboxamide

N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-propylpyrimidine-5-carboxamide (PubChem CID 137021865) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-propylpyrimidine-5-carboxamide
PubChem CID137021865
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-propylpyrimidine-5-carboxamide
SMILESCCCc1ncncc1C(=O)NCCc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C15H19N5O2/c1-3-4-12-11(8-16-9-18-12)15(22)17-6-5-13-19-10(2)7-14(21)20-13/h7-9H,3-6H2,1-2H3,(H,17,22)(H,19,20,21)
InChIKeyWVDILFDMNDWJSO-UHFFFAOYSA-N
XLogP0.79
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-propylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-propylpyrimidine-5-carboxamide (CID 137021865) is N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-propylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-propylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-propylpyrimidine-5-carboxamide is CCCc1ncncc1C(=O)NCCc1nc(C)cc(=O)[nH]1.
What is the InChIKey of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-propylpyrimidine-5-carboxamide?
The InChIKey is WVDILFDMNDWJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-3-4-12-11(8-16-9-18-12)15(22)17-6-5-13-19-10(2)7-14(21)20-13/h7-9H,3-6H2,1-2H3,(H,17,22)(H,19,20,21).
What are the key properties of N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-propylpyrimidine-5-carboxamide?
N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-propylpyrimidine-5-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-4-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 137021865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).