N-(1,1-dioxothiolan-3-yl)-6-(dipropylamino)-N-methylpyrimidine-4-carboxamide

C16H26N4O3S — CID 109351966

IUPACN-(1,1-dioxothiolan-3-yl)-6-(dipropylamino)-N-methylpyrimidine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)N(C)C2CCS(=O)(=O)C2)ncn1
InChIInChI=1S/C16H26N4O3S/c1-4-7-20(8-5-2)15-10-14(17-12-18-15)16(21)19(3)13-6-9-24(22,23)11-13/h10,12-13H,4-9,11H2,1-3H3
InChIKeyBONAVAKJFRRMCQ-UHFFFAOYSA-N
MW354.48 g/mol
LogP1.36
Rot. Bonds7

About N-(1,1-dioxothiolan-3-yl)-6-(dipropylamino)-N-methylpyrimidine-4-carboxamide

N-(1,1-dioxothiolan-3-yl)-6-(dipropylamino)-N-methylpyrimidine-4-carboxamide (PubChem CID 109351966) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-6-(dipropylamino)-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-6-(dipropylamino)-N-methylpyrimidine-4-carboxamide
PubChem CID109351966
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC NameN-(1,1-dioxothiolan-3-yl)-6-(dipropylamino)-N-methylpyrimidine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)N(C)C2CCS(=O)(=O)C2)ncn1
InChIInChI=1S/C16H26N4O3S/c1-4-7-20(8-5-2)15-10-14(17-12-18-15)16(21)19(3)13-6-9-24(22,23)11-13/h10,12-13H,4-9,11H2,1-3H3
InChIKeyBONAVAKJFRRMCQ-UHFFFAOYSA-N
XLogP1.36
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(1,1-dioxothiolan-3-yl)-ethylamino]-N,N-dipropylpyrimidine-4-carboxamide
CID 109352646
N-(1,1-dioxothiolan-3-yl)-6-(dipropylamino)pyrimidine-4-carboxamide
CID 109351820
6-[butyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyrimidine-4-carboxamide
CID 109352684
6-[3-(dimethylamino)propylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-4-carboxamide
CID 109344716
N-butyl-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyrimidine-4-carboxamide
CID 109340046
6-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-4-carboxamide
CID 109345883
3-N-(1,1-dioxothiolan-3-yl)-3-N-methyl-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109106538
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339657
N-(1,1-dioxothiolan-3-yl)-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 146124038
6-[(4-chlorophenyl)methylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-4-carboxamide
CID 109348683
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109351952
N-(1,1-dioxothiolan-3-yl)-6-[(4-methoxyphenyl)methylamino]-N-methylpyrimidine-4-carboxamide
CID 109349053

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-6-(dipropylamino)-N-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-6-(dipropylamino)-N-methylpyrimidine-4-carboxamide (CID 109351966) is N-(1,1-dioxothiolan-3-yl)-6-(dipropylamino)-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-6-(dipropylamino)-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-6-(dipropylamino)-N-methylpyrimidine-4-carboxamide is CCCN(CCC)c1cc(C(=O)N(C)C2CCS(=O)(=O)C2)ncn1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-6-(dipropylamino)-N-methylpyrimidine-4-carboxamide?
The InChIKey is BONAVAKJFRRMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-4-7-20(8-5-2)15-10-14(17-12-18-15)16(21)19(3)13-6-9-24(22,23)11-13/h10,12-13H,4-9,11H2,1-3H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-6-(dipropylamino)-N-methylpyrimidine-4-carboxamide?
N-(1,1-dioxothiolan-3-yl)-6-(dipropylamino)-N-methylpyrimidine-4-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 1.36, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-6-(dipropylamino)-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109351966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).