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

C16H26N4O3 — CID 137016773

IUPAC2-tert-butyl-4-methyl-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCCN1CCOCC1
InChIInChI=1S/C16H26N4O3/c1-11-12(14(22)19-15(18-11)16(2,3)4)13(21)17-5-6-20-7-9-23-10-8-20/h5-10H2,1-4H3,(H,17,21)(H,18,19,22)
InChIKeyUQGDPAHRYNXXDI-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.44
Rot. Bonds4

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

2-tert-butyl-4-methyl-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 137016773) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID137016773
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name2-tert-butyl-4-methyl-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCCN1CCOCC1
InChIInChI=1S/C16H26N4O3/c1-11-12(14(22)19-15(18-11)16(2,3)4)13(21)17-5-6-20-7-9-23-10-8-20/h5-10H2,1-4H3,(H,17,21)(H,18,19,22)
InChIKeyUQGDPAHRYNXXDI-UHFFFAOYSA-N
XLogP0.44
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-4-methyl-6-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyrimidine-5-carboxamide
CID 137161909
2,3-dimethyl-6-(3-morpholinylacetyl)-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 56910816
2,3-dimethyl-6-[2-[(3R)-morpholin-3-yl]acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 95725994
2,3-dimethyl-6-[2-[(3S)-morpholin-3-yl]acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 95725995
4-[2-(2-hydroxyethylamino)ethylamino]-6-methyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-2-one
CID 101627392
2-methyl-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 110849733
2-(2-morpholin-4-yl-2-oxoethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione
CID 135697216
4-methyl-5-(morpholine-4-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136062315
4-methyl-5-(4-methylpiperazine-1-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136062320
2,4-dimethyl-5-[1-(2-morpholin-4-ylethylamino)ethyl]-1H-pyrimidin-6-one
CID 136091255
2,4-dimethyl-5-[1-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-1H-pyrimidin-6-one
CID 136091426
2-cyclopropyl-4-methyl-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one
CID 136216379

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-tert-butyl-4-methyl-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 137016773) is 2-tert-butyl-4-methyl-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-4-methyl-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-tert-butyl-4-methyl-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide is Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCCN1CCOCC1.
What is the InChIKey of 2-tert-butyl-4-methyl-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is UQGDPAHRYNXXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-11-12(14(22)19-15(18-11)16(2,3)4)13(21)17-5-6-20-7-9-23-10-8-20/h5-10H2,1-4H3,(H,17,21)(H,18,19,22).
What are the key properties of 2-tert-butyl-4-methyl-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
2-tert-butyl-4-methyl-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 137016773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).