2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C18H20N4OS — CID 46985234

IUPAC2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N(Cc2ccncc2)CC2CCCO2)c2ccsc2n1
InChIInChI=1S/C18H20N4OS/c1-13-20-17(16-6-10-24-18(16)21-13)22(12-15-3-2-9-23-15)11-14-4-7-19-8-5-14/h4-8,10,15H,2-3,9,11-12H2,1H3
InChIKeySLJJDFFTQPEBEY-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.58
Rot. Bonds5

About 2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 46985234) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID46985234
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N(Cc2ccncc2)CC2CCCO2)c2ccsc2n1
InChIInChI=1S/C18H20N4OS/c1-13-20-17(16-6-10-24-18(16)21-13)22(12-15-3-2-9-23-15)11-14-4-7-19-8-5-14/h4-8,10,15H,2-3,9,11-12H2,1H3
InChIKeySLJJDFFTQPEBEY-UHFFFAOYSA-N
XLogP3.58
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,6-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 126783872
1-[(2S)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)-N-(thiophen-2-ylmethyl)methanamine
CID 95904603
N,7-dibenzyl-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 95798355
[(2S)-oxolan-2-yl]methyl-(pyridin-4-ylmethyl)carbamic acid;hydrochloride
CID 66997327
N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 97231150
3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(pyridin-4-ylmethyl)urea
CID 126445049
N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 74230946
4-methoxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 133369141
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 45193579
1-[[(2S)-oxolan-2-yl]methyl]-3-(2-pyridin-4-ylethyl)-1-(thiophen-3-ylmethyl)urea
CID 126450055
N-benzyl-6-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 71845614
6-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 110219427

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 46985234) is 2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1nc(N(Cc2ccncc2)CC2CCCO2)c2ccsc2n1.
What is the InChIKey of 2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is SLJJDFFTQPEBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-13-20-17(16-6-10-24-18(16)21-13)22(12-15-3-2-9-23-15)11-14-4-7-19-8-5-14/h4-8,10,15H,2-3,9,11-12H2,1H3.
What are the key properties of 2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 340.45 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 46985234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).