N,2-diethyl-5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine

C14H24N4O2S — CID 102887630

IUPACN,2-diethyl-5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
SMILESCCNc1nc(CC)nc(N2CCS(=O)(=O)CC2C)c1C
InChIInChI=1S/C14H24N4O2S/c1-5-12-16-13(15-6-2)11(4)14(17-12)18-7-8-21(19,20)9-10(18)3/h10H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyWPJIPUBEPJWPDN-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.40
Rot. Bonds4

About N,2-diethyl-5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine

N,2-diethyl-5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine (PubChem CID 102887630) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N,2-diethyl-5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-diethyl-5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
PubChem CID102887630
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN,2-diethyl-5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
SMILESCCNc1nc(CC)nc(N2CCS(=O)(=O)CC2C)c1C
InChIInChI=1S/C14H24N4O2S/c1-5-12-16-13(15-6-2)11(4)14(17-12)18-7-8-21(19,20)9-10(18)3/h10H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyWPJIPUBEPJWPDN-UHFFFAOYSA-N
XLogP1.40
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,4-dimethylpiperidin-1-yl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80982600
N,2-diethyl-5-methyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine
CID 80985082
[1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80987896
N-ethyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-7H-purin-2-amine
CID 102887635
4-N-(1,1-dioxothian-4-yl)-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80986945
6-(2,6-dimethylmorpholin-4-yl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80982249
2-ethyl-N,5-dimethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80981348
N-ethyl-5-methyl-6-(3-methylmorpholin-4-yl)-2-propylpyrimidin-4-amine
CID 80993713
8-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80984600
1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114683955
[1-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol
CID 102789896
6-(3,5-dimethyl-1,2,4-triazol-1-yl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80992528

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine?
The IUPAC name of N,2-diethyl-5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine (CID 102887630) is N,2-diethyl-5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for N,2-diethyl-5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine?
The canonical SMILES for N,2-diethyl-5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine is CCNc1nc(CC)nc(N2CCS(=O)(=O)CC2C)c1C.
What is the InChIKey of N,2-diethyl-5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine?
The InChIKey is WPJIPUBEPJWPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-5-12-16-13(15-6-2)11(4)14(17-12)18-7-8-21(19,20)9-10(18)3/h10H,5-9H2,1-4H3,(H,15,16,17).
What are the key properties of N,2-diethyl-5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine?
N,2-diethyl-5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine has a molecular weight of 312.44 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-5-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 102887630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).