[4-[6-(ethylamino)-5-nitropyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol

C12H19N5O4 — CID 102939074

IUPAC[4-[6-(ethylamino)-5-nitropyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol
SMILESCCNc1ncnc(N2CC(C)OC(CO)C2)c1[N+](=O)[O-]
InChIInChI=1S/C12H19N5O4/c1-3-13-11-10(17(19)20)12(15-7-14-11)16-4-8(2)21-9(5-16)6-18/h7-9,18H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyGAGFKPBPVRZUPK-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.40
Rot. Bonds5

About [4-[6-(ethylamino)-5-nitropyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol

[4-[6-(ethylamino)-5-nitropyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol (PubChem CID 102939074) has the molecular formula C12H19N5O4 and a molecular weight of 297.32 g/mol. Its IUPAC name is [4-[6-(ethylamino)-5-nitropyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[6-(ethylamino)-5-nitropyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol
PubChem CID102939074
Molecular FormulaC12H19N5O4
Molecular Weight297.32 g/mol
Exact Mass297.14
IUPAC Name[4-[6-(ethylamino)-5-nitropyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol
SMILESCCNc1ncnc(N2CC(C)OC(CO)C2)c1[N+](=O)[O-]
InChIInChI=1S/C12H19N5O4/c1-3-13-11-10(17(19)20)12(15-7-14-11)16-4-8(2)21-9(5-16)6-18/h7-9,18H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyGAGFKPBPVRZUPK-UHFFFAOYSA-N
XLogP0.40
TPSA113.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.40
H-Bond Donors ≤ 52
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'}

Analyze [4-[6-(ethylamino)-5-nitropyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol 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

6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methyl-5-nitropyrimidin-4-amine
CID 38739450
N-ethyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23487085
N-ethyl-5-nitro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine
CID 103504662
N-ethyl-6-(4-methylazepan-1-yl)-5-nitropyrimidin-4-amine
CID 80833797
6-(2-methylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 80763913
[6-methyl-4-(4-nitrophenyl)morpholin-2-yl]methanol
CID 102935166
N-ethyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine
CID 80816935
N-ethyl-6-(3-ethylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 80792384
[4-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol
CID 102933974
ethyl 4-[[6-(2,6-dimethylmorpholin-4-yl)-5-nitropyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 3717283
ethyl 1-[6-(ethylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate
CID 23487096
4-[6-(ethylamino)-5-nitropyrimidin-4-yl]-1-methylpiperazin-2-one
CID 80845205

Frequently Asked Questions

What is the IUPAC name of [4-[6-(ethylamino)-5-nitropyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[6-(ethylamino)-5-nitropyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol (CID 102939074) is [4-[6-(ethylamino)-5-nitropyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[6-(ethylamino)-5-nitropyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[6-(ethylamino)-5-nitropyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol is CCNc1ncnc(N2CC(C)OC(CO)C2)c1[N+](=O)[O-].
What is the InChIKey of [4-[6-(ethylamino)-5-nitropyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol?
The InChIKey is GAGFKPBPVRZUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O4/c1-3-13-11-10(17(19)20)12(15-7-14-11)16-4-8(2)21-9(5-16)6-18/h7-9,18H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of [4-[6-(ethylamino)-5-nitropyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol?
[4-[6-(ethylamino)-5-nitropyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol has a molecular weight of 297.32 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(ethylamino)-5-nitropyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102939074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).