5-chloro-4-(chloromethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine

C14H14Cl2N2S — CID 114920935

IUPAC5-chloro-4-(chloromethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESClCc1cc(N(Cc2cccs2)C2CC2)ncc1Cl
InChIInChI=1S/C14H14Cl2N2S/c15-7-10-6-14(17-8-13(10)16)18(11-3-4-11)9-12-2-1-5-19-12/h1-2,5-6,8,11H,3-4,7,9H2
InChIKeyNXPBAJSQKCRGGZ-UHFFFAOYSA-N
MW313.25 g/mol
LogP4.70
Rot. Bonds5

About 5-chloro-4-(chloromethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine

5-chloro-4-(chloromethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine (PubChem CID 114920935) has the molecular formula C14H14Cl2N2S and a molecular weight of 313.25 g/mol. Its IUPAC name is 5-chloro-4-(chloromethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(chloromethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
PubChem CID114920935
Molecular FormulaC14H14Cl2N2S
Molecular Weight313.25 g/mol
Exact Mass312.03
IUPAC Name5-chloro-4-(chloromethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESClCc1cc(N(Cc2cccs2)C2CC2)ncc1Cl
InChIInChI=1S/C14H14Cl2N2S/c15-7-10-6-14(17-8-13(10)16)18(11-3-4-11)9-12-2-1-5-19-12/h1-2,5-6,8,11H,3-4,7,9H2
InChIKeyNXPBAJSQKCRGGZ-UHFFFAOYSA-N
XLogP4.70
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(chloromethyl)-N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 114215437
3-bromo-5-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114836834
6-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 60733814
2-(chloromethyl)-N-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 114067735
4-N-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808750
5-chloro-N-cyclopropyl-6-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62288900
4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80808585
5-chloro-4-(chloromethyl)-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine
CID 114921107
N-cyclopropyl-4-(propylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62289080
N-cyclopropyl-5-iodo-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66318811
N-cyclopropyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 133350927
3-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 61448831

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(chloromethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-4-(chloromethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine (CID 114920935) is 5-chloro-4-(chloromethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-4-(chloromethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-4-(chloromethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine is ClCc1cc(N(Cc2cccs2)C2CC2)ncc1Cl.
What is the InChIKey of 5-chloro-4-(chloromethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The InChIKey is NXPBAJSQKCRGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2S/c15-7-10-6-14(17-8-13(10)16)18(11-3-4-11)9-12-2-1-5-19-12/h1-2,5-6,8,11H,3-4,7,9H2.
What are the key properties of 5-chloro-4-(chloromethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
5-chloro-4-(chloromethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine has a molecular weight of 313.25 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(chloromethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 114920935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).