6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-morpholin-4-yl-5-nitropyrimidin-4-amine

C14H22N6O4 — CID 7562246

IUPAC6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-morpholin-4-yl-5-nitropyrimidin-4-amine
SMILESC[C@H]1CN(c2nc(N3CCOCC3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1
InChIInChI=1S/C14H22N6O4/c1-9-7-19(8-10(2)24-9)13-11(20(21)22)12(15)16-14(17-13)18-3-5-23-6-4-18/h9-10H,3-8H2,1-2H3,(H2,15,16,17)/t9-,10-/m0/s1
InChIKeyCKTXPKSEMKDNNL-UWVGGRQHSA-N
MW338.37 g/mol
LogP0.42
Rot. Bonds3

About 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-morpholin-4-yl-5-nitropyrimidin-4-amine

6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-morpholin-4-yl-5-nitropyrimidin-4-amine (PubChem CID 7562246) has the molecular formula C14H22N6O4 and a molecular weight of 338.37 g/mol. Its IUPAC name is 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-morpholin-4-yl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-morpholin-4-yl-5-nitropyrimidin-4-amine
PubChem CID7562246
Molecular FormulaC14H22N6O4
Molecular Weight338.37 g/mol
Exact Mass338.17
IUPAC Name6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-morpholin-4-yl-5-nitropyrimidin-4-amine
SMILESC[C@H]1CN(c2nc(N3CCOCC3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1
InChIInChI=1S/C14H22N6O4/c1-9-7-19(8-10(2)24-9)13-11(20(21)22)12(15)16-14(17-13)18-3-5-23-6-4-18/h9-10H,3-8H2,1-2H3,(H2,15,16,17)/t9-,10-/m0/s1
InChIKeyCKTXPKSEMKDNNL-UWVGGRQHSA-N
XLogP0.42
TPSA119.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-morpholin-4-yl-5-nitropyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-nitropyrimidin-4-amine
CID 7529008
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitropyrimidin-4-amine
CID 98275444
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-6-(4-methylpiperazin-4-ium-1-yl)-5-nitropyrimidin-4-amine
CID 7506221
2-(4-benzylpiperazin-4-ium-1-yl)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-nitropyrimidin-4-amine
CID 7586873
6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-N-methyl-5-nitropyrimidine-2,4-diamine
CID 7529873
2-(2,6-dimethylmorpholin-4-yl)-6-methoxy-5-nitropyrimidin-4-amine
CID 3311824
6-(4-benzylpiperazin-1-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-nitropyrimidin-4-amine
CID 7542737
6-(4-benzylpiperidin-1-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-nitropyrimidin-4-amine
CID 7530207
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-nitro-2-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
CID 7530301
6-(azepan-1-yl)-2-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 3649607
2-N-cyclohexyl-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-nitropyrimidine-2,4-diamine
CID 40626880
6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine
CID 40540393

Frequently Asked Questions

What is the IUPAC name of 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-morpholin-4-yl-5-nitropyrimidin-4-amine?
The IUPAC name of 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-morpholin-4-yl-5-nitropyrimidin-4-amine (CID 7562246) is 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-morpholin-4-yl-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-morpholin-4-yl-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-morpholin-4-yl-5-nitropyrimidin-4-amine is C[C@H]1CN(c2nc(N3CCOCC3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1.
What is the InChIKey of 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-morpholin-4-yl-5-nitropyrimidin-4-amine?
The InChIKey is CKTXPKSEMKDNNL-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H22N6O4/c1-9-7-19(8-10(2)24-9)13-11(20(21)22)12(15)16-14(17-13)18-3-5-23-6-4-18/h9-10H,3-8H2,1-2H3,(H2,15,16,17)/t9-,10-/m0/s1.
What are the key properties of 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-morpholin-4-yl-5-nitropyrimidin-4-amine?
6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-morpholin-4-yl-5-nitropyrimidin-4-amine has a molecular weight of 338.37 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-morpholin-4-yl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 7562246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).