N,N,6-trimethyl-4-(4-morpholin-4-ylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C18H24N4O3 — CID 5041693

IUPACN,N,6-trimethyl-4-(4-morpholin-4-ylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)N(C)C)C(c2ccc(N3CCOCC3)cc2)NC(=O)N1
InChIInChI=1S/C18H24N4O3/c1-12-15(17(23)21(2)3)16(20-18(24)19-12)13-4-6-14(7-5-13)22-8-10-25-11-9-22/h4-7,16H,8-11H2,1-3H3,(H2,19,20,24)
InChIKeyZGTZVMSWOFFBJY-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.24
Rot. Bonds3

About N,N,6-trimethyl-4-(4-morpholin-4-ylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

N,N,6-trimethyl-4-(4-morpholin-4-ylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 5041693) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N,N,6-trimethyl-4-(4-morpholin-4-ylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N,6-trimethyl-4-(4-morpholin-4-ylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID5041693
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN,N,6-trimethyl-4-(4-morpholin-4-ylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)N(C)C)C(c2ccc(N3CCOCC3)cc2)NC(=O)N1
InChIInChI=1S/C18H24N4O3/c1-12-15(17(23)21(2)3)16(20-18(24)19-12)13-4-6-14(7-5-13)22-8-10-25-11-9-22/h4-7,16H,8-11H2,1-3H3,(H2,19,20,24)
InChIKeyZGTZVMSWOFFBJY-UHFFFAOYSA-N
XLogP1.24
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,6-trimethyl-4-(4-morpholin-4-ylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of N,N,6-trimethyl-4-(4-morpholin-4-ylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 5041693) is N,N,6-trimethyl-4-(4-morpholin-4-ylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N,N,6-trimethyl-4-(4-morpholin-4-ylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N,N,6-trimethyl-4-(4-morpholin-4-ylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)N(C)C)C(c2ccc(N3CCOCC3)cc2)NC(=O)N1.
What is the InChIKey of N,N,6-trimethyl-4-(4-morpholin-4-ylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is ZGTZVMSWOFFBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12-15(17(23)21(2)3)16(20-18(24)19-12)13-4-6-14(7-5-13)22-8-10-25-11-9-22/h4-7,16H,8-11H2,1-3H3,(H2,19,20,24).
What are the key properties of N,N,6-trimethyl-4-(4-morpholin-4-ylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
N,N,6-trimethyl-4-(4-morpholin-4-ylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,6-trimethyl-4-(4-morpholin-4-ylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 5041693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).