N-ethyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine

C11H12N4O2S — CID 133468172

IUPACN-ethyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
SMILESCCN(Cc1cccs1)c1ncc([N+](=O)[O-])cn1
InChIInChI=1S/C11H12N4O2S/c1-2-14(8-10-4-3-5-18-10)11-12-6-9(7-13-11)15(16)17/h3-7H,2,8H2,1H3
InChIKeyPGLPXDFEFGAHQF-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.47
Rot. Bonds5

About N-ethyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine

N-ethyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine (PubChem CID 133468172) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-ethyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
PubChem CID133468172
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC NameN-ethyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
SMILESCCN(Cc1cccs1)c1ncc([N+](=O)[O-])cn1
InChIInChI=1S/C11H12N4O2S/c1-2-14(8-10-4-3-5-18-10)11-12-6-9(7-13-11)15(16)17/h3-7H,2,8H2,1H3
InChIKeyPGLPXDFEFGAHQF-UHFFFAOYSA-N
XLogP2.47
TPSA72.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.47
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

5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 61146262
4-chloro-5-[ethyl(thiophen-2-ylmethyl)amino]-2-(4-nitrophenyl)pyridazin-3-one
CID 133334512
N-ethyl-6-hydrazinyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80896019
2-[ethyl(thiophen-2-ylmethyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83182104
5-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 103745799
4-[ethyl(thiophen-2-ylmethyl)amino]-3-nitrobenzaldehyde
CID 60658726
4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
CID 79915736
N-ethyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine
CID 107379721
N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 78818781
methyl 5-[ethyl(thiophen-2-ylmethyl)amino]-2-nitrobenzoate
CID 78842406
N-methyl-3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 9113799
3-bromo-5-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 79534692

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine (CID 133468172) is N-ethyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine is CCN(Cc1cccs1)c1ncc([N+](=O)[O-])cn1.
What is the InChIKey of N-ethyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is PGLPXDFEFGAHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-2-14(8-10-4-3-5-18-10)11-12-6-9(7-13-11)15(16)17/h3-7H,2,8H2,1H3.
What are the key properties of N-ethyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
N-ethyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 264.31 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 133468172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).