N-cyclopropyl-2-phenyl-4-thiomorpholin-4-ylpyrimidine-5-carboxamide

C18H20N4OS — CID 83289853

IUPACN-cyclopropyl-2-phenyl-4-thiomorpholin-4-ylpyrimidine-5-carboxamide
SMILESO=C(NC1CC1)c1cnc(-c2ccccc2)nc1N1CCSCC1
InChIInChI=1S/C18H20N4OS/c23-18(20-14-6-7-14)15-12-19-16(13-4-2-1-3-5-13)21-17(15)22-8-10-24-11-9-22/h1-5,12,14H,6-11H2,(H,20,23)
InChIKeyVSTWRNHSEKPMBS-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.59
Rot. Bonds4

About N-cyclopropyl-2-phenyl-4-thiomorpholin-4-ylpyrimidine-5-carboxamide

N-cyclopropyl-2-phenyl-4-thiomorpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 83289853) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N-cyclopropyl-2-phenyl-4-thiomorpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-phenyl-4-thiomorpholin-4-ylpyrimidine-5-carboxamide
PubChem CID83289853
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN-cyclopropyl-2-phenyl-4-thiomorpholin-4-ylpyrimidine-5-carboxamide
SMILESO=C(NC1CC1)c1cnc(-c2ccccc2)nc1N1CCSCC1
InChIInChI=1S/C18H20N4OS/c23-18(20-14-6-7-14)15-12-19-16(13-4-2-1-3-5-13)21-17(15)22-8-10-24-11-9-22/h1-5,12,14H,6-11H2,(H,20,23)
InChIKeyVSTWRNHSEKPMBS-UHFFFAOYSA-N
XLogP2.59
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-(4-ethylpiperazin-1-yl)-2-phenylpyrimidine-5-carboxamide
CID 46111456
ethyl 2-phenyl-4-thiomorpholin-4-ylpyrimidine-5-carboxylate
CID 1474606
N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-4-thiomorpholin-4-ylpyrimidine-5-carboxamide
CID 51069963
2-phenyl-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669942
4-(4-benzylpiperidin-1-yl)-2-phenylpyrimidine-5-carboxylic acid
CID 42670559
N-tert-butyl-4-(4-ethylpiperazin-1-yl)-2-phenylpyrimidine-5-carboxamide
CID 46111457
(4-methyl-2-phenylpyrimidin-5-yl)-thiomorpholin-4-ylmethanone
CID 119062800
4-(4-ethylpiperazin-1-yl)-2-phenyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 42882409
N-(1-methylpiperidin-4-yl)-1-phenylisoquinoline-4-carboxamide
CID 54045835
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyrimidine-5-carboxylic acid
CID 42669944
N-cyclopropyl-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 166189320
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 42673825

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-phenyl-4-thiomorpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-cyclopropyl-2-phenyl-4-thiomorpholin-4-ylpyrimidine-5-carboxamide (CID 83289853) is N-cyclopropyl-2-phenyl-4-thiomorpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-phenyl-4-thiomorpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-cyclopropyl-2-phenyl-4-thiomorpholin-4-ylpyrimidine-5-carboxamide is O=C(NC1CC1)c1cnc(-c2ccccc2)nc1N1CCSCC1.
What is the InChIKey of N-cyclopropyl-2-phenyl-4-thiomorpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is VSTWRNHSEKPMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c23-18(20-14-6-7-14)15-12-19-16(13-4-2-1-3-5-13)21-17(15)22-8-10-24-11-9-22/h1-5,12,14H,6-11H2,(H,20,23).
What are the key properties of N-cyclopropyl-2-phenyl-4-thiomorpholin-4-ylpyrimidine-5-carboxamide?
N-cyclopropyl-2-phenyl-4-thiomorpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-phenyl-4-thiomorpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 83289853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).