1-cyclopentyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-thiophen-2-ylmethanamine

C16H21N3S — CID 61016899

IUPAC1-cyclopentyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCc1nccc(CNC(c2cccs2)C2CCCC2)n1
InChIInChI=1S/C16H21N3S/c1-12-17-9-8-14(19-12)11-18-16(13-5-2-3-6-13)15-7-4-10-20-15/h4,7-10,13,16,18H,2-3,5-6,11H2,1H3
InChIKeyMHMWDILWAMZQDA-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.87
Rot. Bonds5

About 1-cyclopentyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-thiophen-2-ylmethanamine

1-cyclopentyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 61016899) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID61016899
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name1-cyclopentyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCc1nccc(CNC(c2cccs2)C2CCCC2)n1
InChIInChI=1S/C16H21N3S/c1-12-17-9-8-14(19-12)11-18-16(13-5-2-3-6-13)15-7-4-10-20-15/h4,7-10,13,16,18H,2-3,5-6,11H2,1H3
InChIKeyMHMWDILWAMZQDA-UHFFFAOYSA-N
XLogP3.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 62847543
N-[(2-methylpyrimidin-4-yl)methyl]-1,1-dithiophen-2-ylmethanamine
CID 61015866
1-cyclopentyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 103898804
1-cyclopentyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 62741804
1-cyclopentyl-N-[(2-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylmethanamine
CID 60858994
N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 43740592
1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylmethanamine
CID 60713993
1-cyclopentyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43740637
1-cyclopentyl-N-(furan-2-ylmethyl)-1-thiophen-2-ylmethanamine
CID 43740567
1-cyclopentyl-N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 43740648
N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine
CID 60962032
1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43740523

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of 1-cyclopentyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-thiophen-2-ylmethanamine (CID 61016899) is 1-cyclopentyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for 1-cyclopentyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for 1-cyclopentyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-thiophen-2-ylmethanamine is Cc1nccc(CNC(c2cccs2)C2CCCC2)n1.
What is the InChIKey of 1-cyclopentyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is MHMWDILWAMZQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-12-17-9-8-14(19-12)11-18-16(13-5-2-3-6-13)15-7-4-10-20-15/h4,7-10,13,16,18H,2-3,5-6,11H2,1H3.
What are the key properties of 1-cyclopentyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-thiophen-2-ylmethanamine?
1-cyclopentyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 287.43 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(2-methylpyrimidin-4-yl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 61016899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).