N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide

C16H25N5O4S — CID 109344443

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
SMILESCN(C(=O)c1cc(NCCN2CCOCC2)ncn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H25N5O4S/c1-20(13-2-9-26(23,24)11-13)16(22)14-10-15(19-12-18-14)17-3-4-21-5-7-25-8-6-21/h10,12-13H,2-9,11H2,1H3,(H,17,18,19)
InChIKeyLPNGWWMSCRLHFO-UHFFFAOYSA-N
MW383.47 g/mol
LogP-0.52
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide (PubChem CID 109344443) has the molecular formula C16H25N5O4S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
PubChem CID109344443
Molecular FormulaC16H25N5O4S
Molecular Weight383.47 g/mol
Exact Mass383.16
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
SMILESCN(C(=O)c1cc(NCCN2CCOCC2)ncn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H25N5O4S/c1-20(13-2-9-26(23,24)11-13)16(22)14-10-15(19-12-18-14)17-3-4-21-5-7-25-8-6-21/h10,12-13H,2-9,11H2,1H3,(H,17,18,19)
InChIKeyLPNGWWMSCRLHFO-UHFFFAOYSA-N
XLogP-0.52
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide with MolForge

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Related Compounds

6-[3-(dimethylamino)propylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-4-carboxamide
CID 109344716
6-[(4-chlorophenyl)methylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-4-carboxamide
CID 109348683
(4-methylpiperidin-1-yl)-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]methanone
CID 109342324
N-(1,1-dioxothiolan-3-yl)-6-[(4-methoxyphenyl)methylamino]-N-methylpyrimidine-4-carboxamide
CID 109349053
6-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109344547
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 109277491
6-(butylamino)-N-(1,1-dioxothiolan-3-yl)-N,2-dimethylpyrimidine-4-carboxamide
CID 109361591
6-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-4-carboxamide
CID 109345883
N-(4-ethylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344479
6-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-4-carboxamide
CID 109352004
N-(1,1-dioxothiolan-3-yl)-6-(dipropylamino)-N-methylpyrimidine-4-carboxamide
CID 109351966
N-(4-tert-butylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344488

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide (CID 109344443) is N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide is CN(C(=O)c1cc(NCCN2CCOCC2)ncn1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
The InChIKey is LPNGWWMSCRLHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O4S/c1-20(13-2-9-26(23,24)11-13)16(22)14-10-15(19-12-18-14)17-3-4-21-5-7-25-8-6-21/h10,12-13H,2-9,11H2,1H3,(H,17,18,19).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide has a molecular weight of 383.47 g/mol, XLogP of -0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109344443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).