6-ethyl-2-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine

C15H22N4OS — CID 103327900

IUPAC6-ethyl-2-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NCC3CCOCC3)nc(NC)nc2s1
InChIInChI=1S/C15H22N4OS/c1-3-11-8-12-13(17-9-10-4-6-20-7-5-10)18-15(16-2)19-14(12)21-11/h8,10H,3-7,9H2,1-2H3,(H2,16,17,18,19)
InChIKeyMXMKXFRVNFNIRI-UHFFFAOYSA-N
MW306.44 g/mol
LogP3.13
Rot. Bonds5

About 6-ethyl-2-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine

6-ethyl-2-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103327900) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 6-ethyl-2-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-2-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103327900
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name6-ethyl-2-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NCC3CCOCC3)nc(NC)nc2s1
InChIInChI=1S/C15H22N4OS/c1-3-11-8-12-13(17-9-10-4-6-20-7-5-10)18-15(16-2)19-14(12)21-11/h8,10H,3-7,9H2,1-2H3,(H2,16,17,18,19)
InChIKeyMXMKXFRVNFNIRI-UHFFFAOYSA-N
XLogP3.13
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-6-ethyl-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321723
6-ethyl-2-hydrazinyl-N-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103333481
4-N,6-diethyl-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324155
6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324044
4-N-(cyclopentylmethyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324744
6-ethyl-4-N-(2-methoxypropyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330779
4-N-(2,3-dimethylcyclopentyl)-6-ethyl-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328410
2-N-methyl-4-N-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327381
6-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326772
ethyl 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate
CID 103325279
6-ethyl-2-N-methyl-4-N-(3-methylcyclopentyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330658
6-ethyl-2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103334706

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-2-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103327900) is 6-ethyl-2-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-2-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-2-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine is CCc1cc2c(NCC3CCOCC3)nc(NC)nc2s1.
What is the InChIKey of 6-ethyl-2-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is MXMKXFRVNFNIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-3-11-8-12-13(17-9-10-4-6-20-7-5-10)18-15(16-2)19-14(12)21-11/h8,10H,3-7,9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 6-ethyl-2-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
6-ethyl-2-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 306.44 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103327900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).