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

C9H8N4O2S — CID 61146262

IUPAC5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
SMILESO=[N+]([O-])c1cnc(NCc2cccs2)nc1
InChIInChI=1S/C9H8N4O2S/c14-13(15)7-4-10-9(11-5-7)12-6-8-2-1-3-16-8/h1-5H,6H2,(H,10,11,12)
InChIKeyBUFZIJOIWIZKLK-UHFFFAOYSA-N
MW236.26 g/mol
LogP2.06
Rot. Bonds4

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

5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine (PubChem CID 61146262) has the molecular formula C9H8N4O2S and a molecular weight of 236.26 g/mol. Its IUPAC name is 5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
PubChem CID61146262
Molecular FormulaC9H8N4O2S
Molecular Weight236.26 g/mol
Exact Mass236.04
IUPAC Name5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
SMILESO=[N+]([O-])c1cnc(NCc2cccs2)nc1
InChIInChI=1S/C9H8N4O2S/c14-13(15)7-4-10-9(11-5-7)12-6-8-2-1-3-16-8/h1-5H,6H2,(H,10,11,12)
InChIKeyBUFZIJOIWIZKLK-UHFFFAOYSA-N
XLogP2.06
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
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-chloro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 79557672
N-[(5-ethylthiophen-2-yl)methyl]-5-nitropyrimidin-2-amine
CID 113434398
N-ethyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 133468172
2-chloro-5-nitro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 103803189
6-nitro-N-(thiophen-2-ylmethyl)-1,3-benzoxazol-2-amine
CID 112725890
3-bromo-5-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 79534692
5-nitro-N-(thiophen-2-ylmethyl)-1,3-benzoxazol-2-amine
CID 112725928
2-nitro-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 121334764
5-nitro-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80771549
5-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-2-amine
CID 61147060
2-chloro-3-nitro-N-(thiophen-2-ylmethyl)aniline
CID 114270058
N-[(2-methyl-3-nitrophenyl)methyl]-5-nitropyrimidin-2-amine
CID 103111976

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine (CID 61146262) is 5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine is O=[N+]([O-])c1cnc(NCc2cccs2)nc1.
What is the InChIKey of 5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is BUFZIJOIWIZKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2S/c14-13(15)7-4-10-9(11-5-7)12-6-8-2-1-3-16-8/h1-5H,6H2,(H,10,11,12).
What are the key properties of 5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 236.26 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 61146262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).