4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-5-nitropyrimidine

C11H15ClN4O3 — CID 63978838

IUPAC4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-5-nitropyrimidine
SMILESCOCC1CCN(c2ncnc(Cl)c2[N+](=O)[O-])CC1
InChIInChI=1S/C11H15ClN4O3/c1-19-6-8-2-4-15(5-3-8)11-9(16(17)18)10(12)13-7-14-11/h7-8H,2-6H2,1H3
InChIKeyNFAHKUYDHMAUMT-UHFFFAOYSA-N
MW286.72 g/mol
LogP1.90
Rot. Bonds4

About 4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-5-nitropyrimidine

4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-5-nitropyrimidine (PubChem CID 63978838) has the molecular formula C11H15ClN4O3 and a molecular weight of 286.72 g/mol. Its IUPAC name is 4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-5-nitropyrimidine.

Molecular Properties

Compound Name4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-5-nitropyrimidine
PubChem CID63978838
Molecular FormulaC11H15ClN4O3
Molecular Weight286.72 g/mol
Exact Mass286.08
IUPAC Name4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-5-nitropyrimidine
SMILESCOCC1CCN(c2ncnc(Cl)c2[N+](=O)[O-])CC1
InChIInChI=1S/C11H15ClN4O3/c1-19-6-8-2-4-15(5-3-8)11-9(16(17)18)10(12)13-7-14-11/h7-8H,2-6H2,1H3
InChIKeyNFAHKUYDHMAUMT-UHFFFAOYSA-N
XLogP1.90
TPSA81.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 51.90
H-Bond Donors ≤ 50
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-{6-Chloro-5-nitro-4-pyrimidinyl}-2-piperidinyl)methanol
CID 15993919
4-Chloro-6-(4,4-dimethylpiperazin-4-ium-1-yl)-5-nitro-pyrimidine
CID 493212
4-Chloro-6-(2,6-dimethylpiperidin-1-yl)-5-nitropyrimidine
CID 3383771
6-Chloro-N,N-diethyl-5-nitro-4-pyrimidinamine
CID 23477268
6-(3-Methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 2960512
6-(3,5-Dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 4224929
Ethyl 1-(6-amino-5-nitropyrimidin-4-yl)piperidine-4-carboxylate
CID 2959861
4-Chloro-5-nitro-6-piperidin-1-ylpyrimidine
CID 3838152
4-Chloro-2-methyl-5-nitro-6-piperidin-1-ylpyrimidine
CID 4221315
4-Chloro-6-bis(8-hydroxyethyl)amino-5-nitropyrimidine
CID 129797729
4-Chloro-5-nitro-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 65530239
4-Chloro-5-nitro-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 65530435

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-5-nitropyrimidine?
The IUPAC name of 4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-5-nitropyrimidine (CID 63978838) is 4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-5-nitropyrimidine.
What is the SMILES notation for 4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-5-nitropyrimidine?
The canonical SMILES for 4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-5-nitropyrimidine is COCC1CCN(c2ncnc(Cl)c2[N+](=O)[O-])CC1.
What is the InChIKey of 4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-5-nitropyrimidine?
The InChIKey is NFAHKUYDHMAUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O3/c1-19-6-8-2-4-15(5-3-8)11-9(16(17)18)10(12)13-7-14-11/h7-8H,2-6H2,1H3.
What are the key properties of 4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-5-nitropyrimidine?
4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-5-nitropyrimidine has a molecular weight of 286.72 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-5-nitropyrimidine is sourced from PubChem (CID 63978838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).