4-(6-chloro-5-nitropyrimidin-4-yl)-3-methylmorpholine

C9H11ClN4O3 — CID 62102340

IUPAC4-(6-chloro-5-nitropyrimidin-4-yl)-3-methylmorpholine
SMILESCC1COCCN1c1ncnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C9H11ClN4O3/c1-6-4-17-3-2-13(6)9-7(14(15)16)8(10)11-5-12-9/h5-6H,2-4H2,1H3
InChIKeyKVRSKADSSIDHPN-UHFFFAOYSA-N
MW258.66 g/mol
LogP1.26
Rot. Bonds2

About 4-(6-chloro-5-nitropyrimidin-4-yl)-3-methylmorpholine

4-(6-chloro-5-nitropyrimidin-4-yl)-3-methylmorpholine (PubChem CID 62102340) has the molecular formula C9H11ClN4O3 and a molecular weight of 258.66 g/mol. Its IUPAC name is 4-(6-chloro-5-nitropyrimidin-4-yl)-3-methylmorpholine.

Molecular Properties

Compound Name4-(6-chloro-5-nitropyrimidin-4-yl)-3-methylmorpholine
PubChem CID62102340
Molecular FormulaC9H11ClN4O3
Molecular Weight258.66 g/mol
Exact Mass258.05
IUPAC Name4-(6-chloro-5-nitropyrimidin-4-yl)-3-methylmorpholine
SMILESCC1COCCN1c1ncnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C9H11ClN4O3/c1-6-4-17-3-2-13(6)9-7(14(15)16)8(10)11-5-12-9/h5-6H,2-4H2,1H3
InChIKeyKVRSKADSSIDHPN-UHFFFAOYSA-N
XLogP1.26
TPSA81.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 51.26
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'}

Analyze 4-(6-chloro-5-nitropyrimidin-4-yl)-3-methylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-6-(2-methylpyrrolidin-1-yl)-5-nitropyrimidine
CID 62102665
2-(6-chloro-5-nitropyrimidin-4-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79931251
6-(3-ethylmorpholin-4-yl)-N-methyl-5-nitropyrimidin-4-amine
CID 80789029
(3S)-4-(4-chloro-6-methyl-5-nitropyrimidin-2-yl)-3-methylmorpholine;(3S)-4-(4-imidazol-1-yl-6-methyl-5-nitropyrimidin-2-yl)-3-methylmorpholine
CID 158265648
2-(6-chloro-5-nitropyrimidin-4-yl)-1,3-dihydroisoindole
CID 62230339
4-(2-chloro-7-nitrothieno[3,2-d]pyrimidin-4-yl)-3-methylmorpholine
CID 175333259
4-chloro-6-[4-(methoxymethyl)piperidin-1-yl]-5-nitropyrimidine
CID 63978838
4-(4-chloro-1,2,5-thiadiazol-3-yl)-3-methylmorpholine
CID 43808294
4-(6-chloro-5-nitropyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine
CID 102745056
5-ethyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80780913
1-[1-(6-chloro-5-nitropyrimidin-4-yl)piperidin-4-yl]ethanol
CID 106836974
4-chloro-6-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-5-nitropyrimidine
CID 87602022

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-5-nitropyrimidin-4-yl)-3-methylmorpholine?
The IUPAC name of 4-(6-chloro-5-nitropyrimidin-4-yl)-3-methylmorpholine (CID 62102340) is 4-(6-chloro-5-nitropyrimidin-4-yl)-3-methylmorpholine.
What is the SMILES notation for 4-(6-chloro-5-nitropyrimidin-4-yl)-3-methylmorpholine?
The canonical SMILES for 4-(6-chloro-5-nitropyrimidin-4-yl)-3-methylmorpholine is CC1COCCN1c1ncnc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 4-(6-chloro-5-nitropyrimidin-4-yl)-3-methylmorpholine?
The InChIKey is KVRSKADSSIDHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O3/c1-6-4-17-3-2-13(6)9-7(14(15)16)8(10)11-5-12-9/h5-6H,2-4H2,1H3.
What are the key properties of 4-(6-chloro-5-nitropyrimidin-4-yl)-3-methylmorpholine?
4-(6-chloro-5-nitropyrimidin-4-yl)-3-methylmorpholine has a molecular weight of 258.66 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-5-nitropyrimidin-4-yl)-3-methylmorpholine is sourced from PubChem (CID 62102340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).