5-chloro-N-(dithiophen-2-ylmethyl)pyrimidin-2-amine

C13H10ClN3S2 — CID 75512507

IUPAC5-chloro-N-(dithiophen-2-ylmethyl)pyrimidin-2-amine
SMILESClc1cnc(NC(c2cccs2)c2cccs2)nc1
InChIInChI=1S/C13H10ClN3S2/c14-9-7-15-13(16-8-9)17-12(10-3-1-5-18-10)11-4-2-6-19-11/h1-8,12H,(H,15,16,17)
InChIKeySXNUKNIPHBXTIO-UHFFFAOYSA-N
MW307.83 g/mol
LogP4.45
Rot. Bonds4

About 5-chloro-N-(dithiophen-2-ylmethyl)pyrimidin-2-amine

5-chloro-N-(dithiophen-2-ylmethyl)pyrimidin-2-amine (PubChem CID 75512507) has the molecular formula C13H10ClN3S2 and a molecular weight of 307.83 g/mol. Its IUPAC name is 5-chloro-N-(dithiophen-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(dithiophen-2-ylmethyl)pyrimidin-2-amine
PubChem CID75512507
Molecular FormulaC13H10ClN3S2
Molecular Weight307.83 g/mol
Exact Mass307.00
IUPAC Name5-chloro-N-(dithiophen-2-ylmethyl)pyrimidin-2-amine
SMILESClc1cnc(NC(c2cccs2)c2cccs2)nc1
InChIInChI=1S/C13H10ClN3S2/c14-9-7-15-13(16-8-9)17-12(10-3-1-5-18-10)11-4-2-6-19-11/h1-8,12H,(H,15,16,17)
InChIKeySXNUKNIPHBXTIO-UHFFFAOYSA-N
XLogP4.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,6-trichloro-N-(dithiophen-2-ylmethyl)aniline
CID 43773694
5-chloro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 79557672
4-chloro-N-(dithiophen-2-ylmethyl)pyridin-3-amine
CID 83167393
2,5-dichloro-N-(dithiophen-2-ylmethyl)aniline
CID 43757202
2-chloro-N-(dithiophen-2-ylmethyl)-6-methylaniline
CID 66253055
N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 43397770
4-chloro-2-(dithiophen-2-ylmethylamino)benzonitrile
CID 43780568
2-chloro-N-(dithiophen-2-ylmethyl)-4-fluoroaniline
CID 43774020
2-chloro-N-(dithiophen-2-ylmethyl)-4-iodoaniline
CID 43788805
[(5-chlorofuran-2-yl)-thiophen-2-ylmethyl]hydrazine
CID 106694198
5-chloro-2-N-methyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807609
5-chloro-2-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4-diamine
CID 80781944

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(dithiophen-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(dithiophen-2-ylmethyl)pyrimidin-2-amine (CID 75512507) is 5-chloro-N-(dithiophen-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(dithiophen-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(dithiophen-2-ylmethyl)pyrimidin-2-amine is Clc1cnc(NC(c2cccs2)c2cccs2)nc1.
What is the InChIKey of 5-chloro-N-(dithiophen-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is SXNUKNIPHBXTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3S2/c14-9-7-15-13(16-8-9)17-12(10-3-1-5-18-10)11-4-2-6-19-11/h1-8,12H,(H,15,16,17).
What are the key properties of 5-chloro-N-(dithiophen-2-ylmethyl)pyrimidin-2-amine?
5-chloro-N-(dithiophen-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 307.83 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(dithiophen-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 75512507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).