2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitropyrimidin-4-amine

C17H28N6O3 — CID 98275444

IUPAC2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitropyrimidin-4-amine
SMILESC[C@@H]1C[C@@H](C)CN(c2nc(N3C[C@@H](C)O[C@H](C)C3)nc(N)c2[N+](=O)[O-])C1
InChIInChI=1S/C17H28N6O3/c1-10-5-11(2)7-21(6-10)16-14(23(24)25)15(18)19-17(20-16)22-8-12(3)26-13(4)9-22/h10-13H,5-9H2,1-4H3,(H2,18,19,20)/t10-,11-,12-,13-/m1/s1
InChIKeyKNNUDEKFSDVUQK-FDYHWXHSSA-N
MW364.45 g/mol
LogP2.06
Rot. Bonds3

About 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitropyrimidin-4-amine

2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitropyrimidin-4-amine (PubChem CID 98275444) has the molecular formula C17H28N6O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitropyrimidin-4-amine
PubChem CID98275444
Molecular FormulaC17H28N6O3
Molecular Weight364.45 g/mol
Exact Mass364.22
IUPAC Name2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitropyrimidin-4-amine
SMILESC[C@@H]1C[C@@H](C)CN(c2nc(N3C[C@@H](C)O[C@H](C)C3)nc(N)c2[N+](=O)[O-])C1
InChIInChI=1S/C17H28N6O3/c1-10-5-11(2)7-21(6-10)16-14(23(24)25)15(18)19-17(20-16)22-8-12(3)26-13(4)9-22/h10-13H,5-9H2,1-4H3,(H2,18,19,20)/t10-,11-,12-,13-/m1/s1
InChIKeyKNNUDEKFSDVUQK-FDYHWXHSSA-N
XLogP2.06
TPSA110.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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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
6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-morpholin-4-yl-5-nitropyrimidin-4-amine
CID 7562246
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine
CID 40504586
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-6-(4-methylpiperazin-4-ium-1-yl)-5-nitropyrimidin-4-amine
CID 7506221
2-(2,6-dimethylmorpholin-4-yl)-6-methoxy-5-nitropyrimidin-4-amine
CID 3311824
6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-N-methyl-5-nitropyrimidine-2,4-diamine
CID 7529873
6-(4-benzylpiperazin-1-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-nitropyrimidin-4-amine
CID 7542737
2-(4-benzylpiperazin-4-ium-1-yl)-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-nitropyrimidin-4-amine
CID 7586873
6-(4-benzylpiperidin-1-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-nitropyrimidin-4-amine
CID 7530207
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
2-[[4-amino-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-nitropyrimidin-2-yl]amino]acetic acid
CID 40965026

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitropyrimidin-4-amine?
The IUPAC name of 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitropyrimidin-4-amine (CID 98275444) is 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitropyrimidin-4-amine.
What is the SMILES notation for 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitropyrimidin-4-amine?
The canonical SMILES for 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitropyrimidin-4-amine is C[C@@H]1C[C@@H](C)CN(c2nc(N3C[C@@H](C)O[C@H](C)C3)nc(N)c2[N+](=O)[O-])C1.
What is the InChIKey of 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitropyrimidin-4-amine?
The InChIKey is KNNUDEKFSDVUQK-FDYHWXHSSA-N. The full InChI is InChI=1S/C17H28N6O3/c1-10-5-11(2)7-21(6-10)16-14(23(24)25)15(18)19-17(20-16)22-8-12(3)26-13(4)9-22/h10-13H,5-9H2,1-4H3,(H2,18,19,20)/t10-,11-,12-,13-/m1/s1.
What are the key properties of 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitropyrimidin-4-amine?
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitropyrimidin-4-amine has a molecular weight of 364.45 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitropyrimidin-4-amine is sourced from PubChem (CID 98275444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).