2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-oxo-1H-pyrimidine-5-carboxamide

C17H22N4O4 — CID 72907580

IUPAC2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCC(c2ccc(C)o2)N2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C17H22N4O4/c1-11-3-4-15(25-11)14(21-5-7-24-8-6-21)10-19-16(22)13-9-18-12(2)20-17(13)23/h3-4,9,14H,5-8,10H2,1-2H3,(H,19,22)(H,18,20,23)
InChIKeyCLKNQKJBKIQWIC-UHFFFAOYSA-N
MW346.39 g/mol
LogP0.78
Rot. Bonds5

About 2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-oxo-1H-pyrimidine-5-carboxamide

2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 72907580) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID72907580
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCC(c2ccc(C)o2)N2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C17H22N4O4/c1-11-3-4-15(25-11)14(21-5-7-24-8-6-21)10-19-16(22)13-9-18-12(2)20-17(13)23/h3-4,9,14H,5-8,10H2,1-2H3,(H,19,22)(H,18,20,23)
InChIKeyCLKNQKJBKIQWIC-UHFFFAOYSA-N
XLogP0.78
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]furan-3-carboxamide
CID 18164174
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide
CID 18168885
2-methyl-6-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)-1H-pyrimidine-5-carboxamide
CID 77093282
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyridine-2-carboxamide
CID 51074519
2,5-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18168876
2-methyl-6-oxo-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrimidine-5-carboxamide
CID 99946846
2,3-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18168875
N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 97144404
2-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 119837790
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 55649454
2-(N-methylanilino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 55759392
2-fluoro-4-methoxy-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 32707160

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 72907580) is 2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)NCC(c2ccc(C)o2)N2CCOCC2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is CLKNQKJBKIQWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-11-3-4-15(25-11)14(21-5-7-24-8-6-21)10-19-16(22)13-9-18-12(2)20-17(13)23/h3-4,9,14H,5-8,10H2,1-2H3,(H,19,22)(H,18,20,23).
What are the key properties of 2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 72907580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).