6-ethyl-N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(4-nitrophenyl)pyrimidin-4-amine

C19H25N5O3 — CID 133386487

IUPAC6-ethyl-N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(4-nitrophenyl)pyrimidin-4-amine
SMILESCCc1cc(NC(C)C2CN(C)CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C19H25N5O3/c1-4-15-11-18(20-13(2)17-12-23(3)9-10-27-17)22-19(21-15)14-5-7-16(8-6-14)24(25)26/h5-8,11,13,17H,4,9-10,12H2,1-3H3,(H,20,21,22)
InChIKeyFUCDGWAQJCDDJF-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.75
Rot. Bonds6

About 6-ethyl-N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(4-nitrophenyl)pyrimidin-4-amine

6-ethyl-N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(4-nitrophenyl)pyrimidin-4-amine (PubChem CID 133386487) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 6-ethyl-N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(4-nitrophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(4-nitrophenyl)pyrimidin-4-amine
PubChem CID133386487
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name6-ethyl-N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(4-nitrophenyl)pyrimidin-4-amine
SMILESCCc1cc(NC(C)C2CN(C)CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C19H25N5O3/c1-4-15-11-18(20-13(2)17-12-23(3)9-10-27-17)22-19(21-15)14-5-7-16(8-6-14)24(25)26/h5-8,11,13,17H,4,9-10,12H2,1-3H3,(H,20,21,22)
InChIKeyFUCDGWAQJCDDJF-UHFFFAOYSA-N
XLogP2.75
TPSA93.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

6-ethyl-N-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133386488
(2S)-2-[[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]propanoic acid
CID 122049460
N-(cyclobutylmethyl)-6-ethyl-2-(4-nitrophenyl)pyrimidin-4-amine
CID 60567693
(2S)-2-[[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 71861501
N-[1-(4-methylmorpholin-2-yl)ethyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133386525
6-ethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-(4-nitrophenyl)pyrimidin-4-amine
CID 133459088
6-ethyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-(4-nitrophenyl)pyrimidin-4-amine
CID 133326094
6-ethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(4-nitrophenyl)pyrimidin-4-amine
CID 133378132
(2R)-4-(diethylamino)-2-[[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]amino]butan-1-ol
CID 100670022
N-[1-(4-methylmorpholin-2-yl)ethyl]-2-nitroaniline
CID 133386498
4-[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]-2-thiophen-2-ylmorpholine
CID 133363720
4-ethyl-2-(4-nitrophenyl)-6-[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine
CID 52519796

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(4-nitrophenyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(4-nitrophenyl)pyrimidin-4-amine (CID 133386487) is 6-ethyl-N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(4-nitrophenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(4-nitrophenyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(4-nitrophenyl)pyrimidin-4-amine is CCc1cc(NC(C)C2CN(C)CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of 6-ethyl-N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(4-nitrophenyl)pyrimidin-4-amine?
The InChIKey is FUCDGWAQJCDDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-4-15-11-18(20-13(2)17-12-23(3)9-10-27-17)22-19(21-15)14-5-7-16(8-6-14)24(25)26/h5-8,11,13,17H,4,9-10,12H2,1-3H3,(H,20,21,22).
What are the key properties of 6-ethyl-N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(4-nitrophenyl)pyrimidin-4-amine?
6-ethyl-N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(4-nitrophenyl)pyrimidin-4-amine has a molecular weight of 371.44 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(4-nitrophenyl)pyrimidin-4-amine is sourced from PubChem (CID 133386487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).