N-methyl-1-[2-methyl-4-(2-thiophen-2-ylethoxy)pyrimidin-5-yl]methanamine

C13H17N3OS — CID 114217140

IUPACN-methyl-1-[2-methyl-4-(2-thiophen-2-ylethoxy)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(C)nc1OCCc1cccs1
InChIInChI=1S/C13H17N3OS/c1-10-15-9-11(8-14-2)13(16-10)17-6-5-12-4-3-7-18-12/h3-4,7,9,14H,5-6,8H2,1-2H3
InChIKeyGMZPCEKEGQTQRM-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.19
Rot. Bonds6

About N-methyl-1-[2-methyl-4-(2-thiophen-2-ylethoxy)pyrimidin-5-yl]methanamine

N-methyl-1-[2-methyl-4-(2-thiophen-2-ylethoxy)pyrimidin-5-yl]methanamine (PubChem CID 114217140) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-methyl-1-[2-methyl-4-(2-thiophen-2-ylethoxy)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-methyl-4-(2-thiophen-2-ylethoxy)pyrimidin-5-yl]methanamine
PubChem CID114217140
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-methyl-1-[2-methyl-4-(2-thiophen-2-ylethoxy)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(C)nc1OCCc1cccs1
InChIInChI=1S/C13H17N3OS/c1-10-15-9-11(8-14-2)13(16-10)17-6-5-12-4-3-7-18-12/h3-4,7,9,14H,5-6,8H2,1-2H3
InChIKeyGMZPCEKEGQTQRM-UHFFFAOYSA-N
XLogP2.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[4-(2-thiophen-2-ylethoxy)-2-pyridinyl]methanamine
CID 62321572
2-ethyl-N,5-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine
CID 80990033
3-bromo-5-methyl-2-(2-thiophen-2-ylethoxy)pyridine
CID 105368298
N-[[5-chloro-6-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]ethanamine
CID 62323331
N-butyl-2-methyl-5-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 118332675
[5-bromo-2-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanamine
CID 62322458
methyl 2-methyl-4-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylate
CID 114214014
2-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 62786037
N,4-dimethyl-6-(2-thiophen-2-ylethoxy)pyrimidin-2-amine
CID 80872249
1-[3-fluoro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]-N-methylmethanamine
CID 105391405
2-methyl-N-[[6-methyl-4-(2-thiophen-2-ylethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81253361
6-ethyl-N-methyl-4-(2-thiophen-2-ylethoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332286

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-methyl-4-(2-thiophen-2-ylethoxy)pyrimidin-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-methyl-4-(2-thiophen-2-ylethoxy)pyrimidin-5-yl]methanamine (CID 114217140) is N-methyl-1-[2-methyl-4-(2-thiophen-2-ylethoxy)pyrimidin-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-methyl-4-(2-thiophen-2-ylethoxy)pyrimidin-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-methyl-4-(2-thiophen-2-ylethoxy)pyrimidin-5-yl]methanamine is CNCc1cnc(C)nc1OCCc1cccs1.
What is the InChIKey of N-methyl-1-[2-methyl-4-(2-thiophen-2-ylethoxy)pyrimidin-5-yl]methanamine?
The InChIKey is GMZPCEKEGQTQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-10-15-9-11(8-14-2)13(16-10)17-6-5-12-4-3-7-18-12/h3-4,7,9,14H,5-6,8H2,1-2H3.
What are the key properties of N-methyl-1-[2-methyl-4-(2-thiophen-2-ylethoxy)pyrimidin-5-yl]methanamine?
N-methyl-1-[2-methyl-4-(2-thiophen-2-ylethoxy)pyrimidin-5-yl]methanamine has a molecular weight of 263.37 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-methyl-4-(2-thiophen-2-ylethoxy)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 114217140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).