4-(2,6-dimethylthiomorpholin-4-yl)-5-nitropyrimidin-2-amine

C10H15N5O2S — CID 114044762

IUPAC4-(2,6-dimethylthiomorpholin-4-yl)-5-nitropyrimidin-2-amine
SMILESCC1CN(c2nc(N)ncc2[N+](=O)[O-])CC(C)S1
InChIInChI=1S/C10H15N5O2S/c1-6-4-14(5-7(2)18-6)9-8(15(16)17)3-12-10(11)13-9/h3,6-7H,4-5H2,1-2H3,(H2,11,12,13)
InChIKeyXNXZMRMSWLLCST-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.30
Rot. Bonds2

About 4-(2,6-dimethylthiomorpholin-4-yl)-5-nitropyrimidin-2-amine

4-(2,6-dimethylthiomorpholin-4-yl)-5-nitropyrimidin-2-amine (PubChem CID 114044762) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-(2,6-dimethylthiomorpholin-4-yl)-5-nitropyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,6-dimethylthiomorpholin-4-yl)-5-nitropyrimidin-2-amine
PubChem CID114044762
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC Name4-(2,6-dimethylthiomorpholin-4-yl)-5-nitropyrimidin-2-amine
SMILESCC1CN(c2nc(N)ncc2[N+](=O)[O-])CC(C)S1
InChIInChI=1S/C10H15N5O2S/c1-6-4-14(5-7(2)18-6)9-8(15(16)17)3-12-10(11)13-9/h3,6-7H,4-5H2,1-2H3,(H2,11,12,13)
InChIKeyXNXZMRMSWLLCST-UHFFFAOYSA-N
XLogP1.30
TPSA98.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3-methylpiperidin-1-yl)-5-nitropyrimidin-2-amine
CID 114044083
5-nitro-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 4057749
[1-(2-amino-5-nitropyrimidin-4-yl)piperidin-2-yl]methanol
CID 114044486
2-chloro-4-(4-methylpiperidin-1-yl)-5-nitropyrimidine
CID 58638538
(2-chloro-5-nitro-4-pyridinyl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 103734032
1-(2-amino-5-nitropyrimidin-4-yl)pyrazole-4-carboxamide
CID 114045473
4-(3,4-dimethylpyrrolidin-1-yl)-5-fluoropyrimidin-2-amine
CID 80848953
6-chloro-2-(3,4-dimethylpyrrolidin-1-yl)-3-nitropyridine
CID 79180812
1-(2-chloro-5-nitropyrimidin-4-yl)-4-methylazepane
CID 114043306
N-methyl-5-nitro-4-thiomorpholin-4-ylpyrimidin-2-amine
CID 114044107
2-[(2S)-2,6-dimethylmorpholin-4-yl]-5-nitropyridin-4-amine
CID 154966522
3,5-dimethyl-1-(6-methyl-3-nitro-2-pyridinyl)piperazine
CID 81132745

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylthiomorpholin-4-yl)-5-nitropyrimidin-2-amine?
The IUPAC name of 4-(2,6-dimethylthiomorpholin-4-yl)-5-nitropyrimidin-2-amine (CID 114044762) is 4-(2,6-dimethylthiomorpholin-4-yl)-5-nitropyrimidin-2-amine.
What is the SMILES notation for 4-(2,6-dimethylthiomorpholin-4-yl)-5-nitropyrimidin-2-amine?
The canonical SMILES for 4-(2,6-dimethylthiomorpholin-4-yl)-5-nitropyrimidin-2-amine is CC1CN(c2nc(N)ncc2[N+](=O)[O-])CC(C)S1.
What is the InChIKey of 4-(2,6-dimethylthiomorpholin-4-yl)-5-nitropyrimidin-2-amine?
The InChIKey is XNXZMRMSWLLCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-6-4-14(5-7(2)18-6)9-8(15(16)17)3-12-10(11)13-9/h3,6-7H,4-5H2,1-2H3,(H2,11,12,13).
What are the key properties of 4-(2,6-dimethylthiomorpholin-4-yl)-5-nitropyrimidin-2-amine?
4-(2,6-dimethylthiomorpholin-4-yl)-5-nitropyrimidin-2-amine has a molecular weight of 269.33 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylthiomorpholin-4-yl)-5-nitropyrimidin-2-amine is sourced from PubChem (CID 114044762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).