1-(5-chlorothiophen-2-yl)-N-(pyrimidin-5-ylmethyl)methanamine

C10H10ClN3S — CID 63001164

IUPAC1-(5-chlorothiophen-2-yl)-N-(pyrimidin-5-ylmethyl)methanamine
SMILESClc1ccc(CNCc2cncnc2)s1
InChIInChI=1S/C10H10ClN3S/c11-10-2-1-9(15-10)6-12-3-8-4-13-7-14-5-8/h1-2,4-5,7,12H,3,6H2
InChIKeyWXBHIUOUXWHUGQ-UHFFFAOYSA-N
MW239.73 g/mol
LogP2.48
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-N-(pyrimidin-5-ylmethyl)methanamine

1-(5-chlorothiophen-2-yl)-N-(pyrimidin-5-ylmethyl)methanamine (PubChem CID 63001164) has the molecular formula C10H10ClN3S and a molecular weight of 239.73 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-(pyrimidin-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-(pyrimidin-5-ylmethyl)methanamine
PubChem CID63001164
Molecular FormulaC10H10ClN3S
Molecular Weight239.73 g/mol
Exact Mass239.03
IUPAC Name1-(5-chlorothiophen-2-yl)-N-(pyrimidin-5-ylmethyl)methanamine
SMILESClc1ccc(CNCc2cncnc2)s1
InChIInChI=1S/C10H10ClN3S/c11-10-2-1-9(15-10)6-12-3-8-4-13-7-14-5-8/h1-2,4-5,7,12H,3,6H2
InChIKeyWXBHIUOUXWHUGQ-UHFFFAOYSA-N
XLogP2.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N-methylaniline
CID 115212752
N-[(5-chlorothiophen-2-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 28712760
(E)-4-chloro-N-[(5-chlorothiophen-2-yl)methyl]but-2-en-1-amine
CID 81429419
N-[(3-chloro-5-fluorophenyl)methyl]-1-(5-chlorothiophen-2-yl)methanamine
CID 114452910
1-(5-chlorothiophen-2-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 115655848
N-[(5-chlorothiophen-2-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
CID 80708538
N-[[4-[[(5-chlorothiophen-2-yl)methylamino]methyl]phenyl]methyl]-N-ethylethanamine
CID 29047393
1-(5-chlorothiophen-2-yl)-N-[(5-nitrothiophen-3-yl)methyl]methanamine
CID 62316220
2-[(5-chlorothiophen-2-yl)methylamino]ethanol
CID 28878613
N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 28643615
N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 60711247
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(5-chlorothiophen-2-yl)methanamine
CID 102835909

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-(pyrimidin-5-ylmethyl)methanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-(pyrimidin-5-ylmethyl)methanamine (CID 63001164) is 1-(5-chlorothiophen-2-yl)-N-(pyrimidin-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-(pyrimidin-5-ylmethyl)methanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-(pyrimidin-5-ylmethyl)methanamine is Clc1ccc(CNCc2cncnc2)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-(pyrimidin-5-ylmethyl)methanamine?
The InChIKey is WXBHIUOUXWHUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3S/c11-10-2-1-9(15-10)6-12-3-8-4-13-7-14-5-8/h1-2,4-5,7,12H,3,6H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-(pyrimidin-5-ylmethyl)methanamine?
1-(5-chlorothiophen-2-yl)-N-(pyrimidin-5-ylmethyl)methanamine has a molecular weight of 239.73 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-(pyrimidin-5-ylmethyl)methanamine is sourced from PubChem (CID 63001164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).