N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)pyrimidin-2-amine

C12H15N3OS — CID 78818781

IUPACN-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
SMILESCCN(Cc1cccs1)c1nccc(OC)n1
InChIInChI=1S/C12H15N3OS/c1-3-15(9-10-5-4-8-17-10)12-13-7-6-11(14-12)16-2/h4-8H,3,9H2,1-2H3
InChIKeyOCFIEPSZKSBFDV-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.57
Rot. Bonds5

About N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)pyrimidin-2-amine

N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)pyrimidin-2-amine (PubChem CID 78818781) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
PubChem CID78818781
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
SMILESCCN(Cc1cccs1)c1nccc(OC)n1
InChIInChI=1S/C12H15N3OS/c1-3-15(9-10-5-4-8-17-10)12-13-7-6-11(14-12)16-2/h4-8H,3,9H2,1-2H3
InChIKeyOCFIEPSZKSBFDV-UHFFFAOYSA-N
XLogP2.57
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 133369141
5-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 103745799
N-[(4-aminophenyl)methyl]-N-ethyl-4-methoxypyrimidin-2-amine
CID 60875696
6-ethoxy-2-N,4-N-diethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80779648
2-N,4-N-diethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80798994
ethyl 2-[ethyl-(4-methoxypyrimidin-2-yl)amino]acetate
CID 62004945
2-[ethyl(thiophen-2-ylmethyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83182104
4-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 61438001
N,N-bis(2-chloroethyl)-4-methoxypyrimidin-2-amine
CID 54226938
3-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 61437900
N-ethyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 133468172
3-amino-2-[ethyl(thiophen-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 82817692

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)pyrimidin-2-amine (CID 78818781) is N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)pyrimidin-2-amine is CCN(Cc1cccs1)c1nccc(OC)n1.
What is the InChIKey of N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is OCFIEPSZKSBFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-3-15(9-10-5-4-8-17-10)12-13-7-6-11(14-12)16-2/h4-8H,3,9H2,1-2H3.
What are the key properties of N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 249.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 78818781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).