N-butan-2-yl-6-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methylpyrimidine-4-carboxamide

C15H24N4O3S — CID 109362544

IUPACN-butan-2-yl-6-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(N(C)C2CCS(=O)(=O)C2)nc(C)n1
InChIInChI=1S/C15H24N4O3S/c1-5-10(2)16-15(20)13-8-14(18-11(3)17-13)19(4)12-6-7-23(21,22)9-12/h8,10,12H,5-7,9H2,1-4H3,(H,16,20)
InChIKeyKWBPPYIWJTVOGF-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.94
Rot. Bonds5

About N-butan-2-yl-6-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methylpyrimidine-4-carboxamide

N-butan-2-yl-6-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methylpyrimidine-4-carboxamide (PubChem CID 109362544) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-butan-2-yl-6-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methylpyrimidine-4-carboxamide
PubChem CID109362544
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC NameN-butan-2-yl-6-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methylpyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1cc(N(C)C2CCS(=O)(=O)C2)nc(C)n1
InChIInChI=1S/C15H24N4O3S/c1-5-10(2)16-15(20)13-8-14(18-11(3)17-13)19(4)12-6-7-23(21,22)9-12/h8,10,12H,5-7,9H2,1-4H3,(H,16,20)
InChIKeyKWBPPYIWJTVOGF-UHFFFAOYSA-N
XLogP0.94
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butan-2-yl-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxamide
CID 109111581
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109372526
6-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109372514
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109372528
6-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371091
6-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide
CID 109364851
6-N-butyl-4-N-(1,1-dioxothiolan-3-yl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112867879
ethyl 4-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112874583
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-propan-2-ylpyrazine-2-carboxamide
CID 109271203
6-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365873
4-N-(1,1-dioxothiolan-3-yl)-6-N-(2-ethylphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112874610
azepan-1-yl-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-methylpyrimidin-4-yl]methanone
CID 109372969

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-6-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methylpyrimidine-4-carboxamide (CID 109362544) is N-butan-2-yl-6-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-6-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methylpyrimidine-4-carboxamide is CCC(C)NC(=O)c1cc(N(C)C2CCS(=O)(=O)C2)nc(C)n1.
What is the InChIKey of N-butan-2-yl-6-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methylpyrimidine-4-carboxamide?
The InChIKey is KWBPPYIWJTVOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-5-10(2)16-15(20)13-8-14(18-11(3)17-13)19(4)12-6-7-23(21,22)9-12/h8,10,12H,5-7,9H2,1-4H3,(H,16,20).
What are the key properties of N-butan-2-yl-6-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methylpyrimidine-4-carboxamide?
N-butan-2-yl-6-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methylpyrimidine-4-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109362544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).