2-tert-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide

C20H32N4O3 — CID 70738324

IUPAC2-tert-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCC2(N3CCOCC3)CCCCC2)c(=O)[nH]1
InChIInChI=1S/C20H32N4O3/c1-19(2,3)18-21-13-15(17(26)23-18)16(25)22-14-20(7-5-4-6-8-20)24-9-11-27-12-10-24/h13H,4-12,14H2,1-3H3,(H,22,25)(H,21,23,26)
InChIKeyAIXQLKIUYOKSLA-UHFFFAOYSA-N
MW376.50 g/mol
LogP1.83
Rot. Bonds4

About 2-tert-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide

2-tert-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 70738324) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-tert-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID70738324
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name2-tert-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCC2(N3CCOCC3)CCCCC2)c(=O)[nH]1
InChIInChI=1S/C20H32N4O3/c1-19(2,3)18-21-13-15(17(26)23-18)16(25)22-14-20(7-5-4-6-8-20)24-9-11-27-12-10-24/h13H,4-12,14H2,1-3H3,(H,22,25)(H,21,23,26)
InChIKeyAIXQLKIUYOKSLA-UHFFFAOYSA-N
XLogP1.83
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51335346
2-cyclopropyl-N-methyl-6-oxo-N-{[1-(1-piperidinyl)cyclohexyl]methyl}-1,6-dihydro-5-pyrimidinecarboxamide
CID 56884318
N-methyl-6-oxo-N-{[1-(1-piperidinyl)cyclohexyl]methyl}-1,6-dihydro-5-pyrimidinecarboxamide
CID 56891064
N,2-dimethyl-6-oxo-N-{[1-(1-piperidinyl)cyclohexyl]methyl}-1,6-dihydro-5-pyrimidinecarboxamide
CID 70709563
2-tert-butyl-4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 137977501

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 70738324) is 2-tert-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide is CC(C)(C)c1ncc(C(=O)NCC2(N3CCOCC3)CCCCC2)c(=O)[nH]1.
What is the InChIKey of 2-tert-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is AIXQLKIUYOKSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-19(2,3)18-21-13-15(17(26)23-18)16(25)22-14-20(7-5-4-6-8-20)24-9-11-27-12-10-24/h13H,4-12,14H2,1-3H3,(H,22,25)(H,21,23,26).
What are the key properties of 2-tert-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-tert-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70738324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).