1-(2-chloro-6-methyl-5-nitropyrimidin-4-yl)-3-methylpiperidin-3-ol

C11H15ClN4O3 — CID 114043436

IUPAC1-(2-chloro-6-methyl-5-nitropyrimidin-4-yl)-3-methylpiperidin-3-ol
SMILESCc1nc(Cl)nc(N2CCCC(C)(O)C2)c1[N+](=O)[O-]
InChIInChI=1S/C11H15ClN4O3/c1-7-8(16(18)19)9(14-10(12)13-7)15-5-3-4-11(2,17)6-15/h17H,3-6H2,1-2H3
InChIKeyFBNVIXOYVCSFTH-UHFFFAOYSA-N
MW286.72 g/mol
LogP1.70
Rot. Bonds2

About 1-(2-chloro-6-methyl-5-nitropyrimidin-4-yl)-3-methylpiperidin-3-ol

1-(2-chloro-6-methyl-5-nitropyrimidin-4-yl)-3-methylpiperidin-3-ol (PubChem CID 114043436) has the molecular formula C11H15ClN4O3 and a molecular weight of 286.72 g/mol. Its IUPAC name is 1-(2-chloro-6-methyl-5-nitropyrimidin-4-yl)-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(2-chloro-6-methyl-5-nitropyrimidin-4-yl)-3-methylpiperidin-3-ol
PubChem CID114043436
Molecular FormulaC11H15ClN4O3
Molecular Weight286.72 g/mol
Exact Mass286.08
IUPAC Name1-(2-chloro-6-methyl-5-nitropyrimidin-4-yl)-3-methylpiperidin-3-ol
SMILESCc1nc(Cl)nc(N2CCCC(C)(O)C2)c1[N+](=O)[O-]
InChIInChI=1S/C11H15ClN4O3/c1-7-8(16(18)19)9(14-10(12)13-7)15-5-3-4-11(2,17)6-15/h17H,3-6H2,1-2H3
InChIKeyFBNVIXOYVCSFTH-UHFFFAOYSA-N
XLogP1.70
TPSA92.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

1-(3-chloro-5-nitro-2-pyridinyl)-3-methylpiperidin-3-ol
CID 103878214
4-(2-chloro-6-methyl-5-nitropyrimidin-4-yl)-1,4-diazepan-2-one
CID 114043344
[1-(2-chloro-6-methyl-5-nitropyrimidin-4-yl)piperidin-4-yl]methanol
CID 114043094
1-(2-chloro-4-nitrophenyl)-3-methylpiperidin-3-ol
CID 113343728
2-chloro-4-(3-hydroxy-3-methylpiperidin-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid
CID 175831054
2-chloro-4-(3-hydroxy-3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 175924243
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylpiperidin-3-ol
CID 115871396
4-methyl-1-(3-methyl-4-nitro-1-propylpyrazol-5-yl)azepan-4-ol
CID 107407478
(3R)-1-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol
CID 164534628
2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-methyl-5-nitropyrimidine
CID 114044381
3-methyl-1-(5-nitro-1,3-thiazol-2-yl)piperidin-3-ol
CID 102771643
2,4-dichloro-6-methyl-5-nitropyrimidine
CID 131668662

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methyl-5-nitropyrimidin-4-yl)-3-methylpiperidin-3-ol?
The IUPAC name of 1-(2-chloro-6-methyl-5-nitropyrimidin-4-yl)-3-methylpiperidin-3-ol (CID 114043436) is 1-(2-chloro-6-methyl-5-nitropyrimidin-4-yl)-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-(2-chloro-6-methyl-5-nitropyrimidin-4-yl)-3-methylpiperidin-3-ol?
The canonical SMILES for 1-(2-chloro-6-methyl-5-nitropyrimidin-4-yl)-3-methylpiperidin-3-ol is Cc1nc(Cl)nc(N2CCCC(C)(O)C2)c1[N+](=O)[O-].
What is the InChIKey of 1-(2-chloro-6-methyl-5-nitropyrimidin-4-yl)-3-methylpiperidin-3-ol?
The InChIKey is FBNVIXOYVCSFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O3/c1-7-8(16(18)19)9(14-10(12)13-7)15-5-3-4-11(2,17)6-15/h17H,3-6H2,1-2H3.
What are the key properties of 1-(2-chloro-6-methyl-5-nitropyrimidin-4-yl)-3-methylpiperidin-3-ol?
1-(2-chloro-6-methyl-5-nitropyrimidin-4-yl)-3-methylpiperidin-3-ol has a molecular weight of 286.72 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methyl-5-nitropyrimidin-4-yl)-3-methylpiperidin-3-ol is sourced from PubChem (CID 114043436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).