N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1-thiophen-3-ylethanamine

C16H22N4S — CID 126817901

IUPACN-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1-thiophen-3-ylethanamine
SMILESCc1cc(CNC(C)c2ccsc2)nc(N2CCCC2)n1
InChIInChI=1S/C16H22N4S/c1-12-9-15(10-17-13(2)14-5-8-21-11-14)19-16(18-12)20-6-3-4-7-20/h5,8-9,11,13,17H,3-4,6-7,10H2,1-2H3
InChIKeyLOWYQGLZZAYDTB-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.30
Rot. Bonds5

About N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1-thiophen-3-ylethanamine

N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1-thiophen-3-ylethanamine (PubChem CID 126817901) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1-thiophen-3-ylethanamine
PubChem CID126817901
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC NameN-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1-thiophen-3-ylethanamine
SMILESCc1cc(CNC(C)c2ccsc2)nc(N2CCCC2)n1
InChIInChI=1S/C16H22N4S/c1-12-9-15(10-17-13(2)14-5-8-21-11-14)19-16(18-12)20-6-3-4-7-20/h5,8-9,11,13,17H,3-4,6-7,10H2,1-2H3
InChIKeyLOWYQGLZZAYDTB-UHFFFAOYSA-N
XLogP3.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-2-amine
CID 55114190
4-fluoro-2-[1-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methylamino]ethyl]phenol
CID 126808777
N-methyl-1-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine
CID 62742082
3-pyrrolidin-1-yl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62091363
2-piperidin-1-yl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62089125
4-(chloromethyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 62745550
[2-(azocan-1-yl)-6-methylpyrimidin-4-yl]methanamine
CID 107541533
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylethanamine
CID 62091240
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclobutanecarboxamide
CID 122352828
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 166225722
5-bromo-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide
CID 72718310
2-(2-chlorophenyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352355

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1-thiophen-3-ylethanamine?
The IUPAC name of N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1-thiophen-3-ylethanamine (CID 126817901) is N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1-thiophen-3-ylethanamine?
The canonical SMILES for N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1-thiophen-3-ylethanamine is Cc1cc(CNC(C)c2ccsc2)nc(N2CCCC2)n1.
What is the InChIKey of N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1-thiophen-3-ylethanamine?
The InChIKey is LOWYQGLZZAYDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-12-9-15(10-17-13(2)14-5-8-21-11-14)19-16(18-12)20-6-3-4-7-20/h5,8-9,11,13,17H,3-4,6-7,10H2,1-2H3.
What are the key properties of N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1-thiophen-3-ylethanamine?
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1-thiophen-3-ylethanamine has a molecular weight of 302.45 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1-thiophen-3-ylethanamine is sourced from PubChem (CID 126817901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).