N-[1-(4-tert-butylphenyl)cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide

C22H27N5O2 — CID 139268498

IUPACN-[1-(4-tert-butylphenyl)cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
SMILESCC(C)(C)c1ccc(C2(NC(=O)C3CC(=O)NC(c4ncccn4)N3)CC2)cc1
InChIInChI=1S/C22H27N5O2/c1-21(2,3)14-5-7-15(8-6-14)22(9-10-22)27-20(29)16-13-17(28)26-19(25-16)18-23-11-4-12-24-18/h4-8,11-12,16,19,25H,9-10,13H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyHQEYVQOXCFPXMN-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.06
Rot. Bonds4

About N-[1-(4-tert-butylphenyl)cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide

N-[1-(4-tert-butylphenyl)cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide (PubChem CID 139268498) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
PubChem CID139268498
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-[1-(4-tert-butylphenyl)cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
SMILESCC(C)(C)c1ccc(C2(NC(=O)C3CC(=O)NC(c4ncccn4)N3)CC2)cc1
InChIInChI=1S/C22H27N5O2/c1-21(2,3)14-5-7-15(8-6-14)22(9-10-22)27-20(29)16-13-17(28)26-19(25-16)18-23-11-4-12-24-18/h4-8,11-12,16,19,25H,9-10,13H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyHQEYVQOXCFPXMN-UHFFFAOYSA-N
XLogP2.06
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-oxo-2-pyrimidin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-1,3-diazinane-4-carboxamide
CID 139268215
N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
CID 139268007
N-[1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopropyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide
CID 139268076
N-[(R)-[4-(difluoromethoxy)phenyl]-(1-methylcyclopropyl)methyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
CID 139268507
N-[(1R)-1-[2,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
CID 139268352
N-[1-(4-tert-butylphenyl)cyclopropyl]-2,2-dimethylpropanamide
CID 164853883
N-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
CID 139268195
N-[(1R)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide
CID 139268005
N-[1-[2-chloro-4-(trifluoromethyl)phenyl]cyclopropyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
CID 139268559
5-oxo-N-(1-phenylcyclobutyl)pyrrolidine-2-carboxamide
CID 110482244
1-(4-tert-butylphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215100
4-[1-[[(1R,3R,5S)-2-azabicyclo[3.1.0]hexane-3-carbonyl]amino]cyclopropyl]benzoic acid
CID 71186652

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide (CID 139268498) is N-[1-(4-tert-butylphenyl)cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide is CC(C)(C)c1ccc(C2(NC(=O)C3CC(=O)NC(c4ncccn4)N3)CC2)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide?
The InChIKey is HQEYVQOXCFPXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-21(2,3)14-5-7-15(8-6-14)22(9-10-22)27-20(29)16-13-17(28)26-19(25-16)18-23-11-4-12-24-18/h4-8,11-12,16,19,25H,9-10,13H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of N-[1-(4-tert-butylphenyl)cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide?
N-[1-(4-tert-butylphenyl)cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)cyclopropyl]-6-oxo-2-pyrimidin-2-yl-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).