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

C15H22N4OS — CID 103327889

IUPAC6-ethyl-4-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(N(C)CC3CCOCC3)nc(N)nc2s1
InChIInChI=1S/C15H22N4OS/c1-3-11-8-12-13(17-15(16)18-14(12)21-11)19(2)9-10-4-6-20-7-5-10/h8,10H,3-7,9H2,1-2H3,(H2,16,17,18)
InChIKeyBQADLMVXALALKP-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.70
Rot. Bonds4

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

6-ethyl-4-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103327889) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 6-ethyl-4-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-4-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103327889
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name6-ethyl-4-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(N(C)CC3CCOCC3)nc(N)nc2s1
InChIInChI=1S/C15H22N4OS/c1-3-11-8-12-13(17-15(16)18-14(12)21-11)19(2)9-10-4-6-20-7-5-10/h8,10H,3-7,9H2,1-2H3,(H2,16,17,18)
InChIKeyBQADLMVXALALKP-UHFFFAOYSA-N
XLogP2.70
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethyl-4-N-methyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324668
4-N-methyl-4-N-(oxan-4-ylmethyl)quinazoline-2,4-diamine
CID 80845799
6-ethyl-4-(oxan-4-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
CID 103334914
2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-ethylacetamide
CID 103326256
6-ethyl-4-N-(furan-2-ylmethyl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324904
4-N-(1,1-dioxothiolan-3-yl)-6-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325260
6-ethyl-N-methyl-N-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 79720015
4-N,6-diethyl-4-N-(2-ethylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325707
6-ethyl-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329657
6-ethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103987764
4-N-(cyclohexylmethyl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325760
2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-propylamino]ethanol
CID 103325630

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-4-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103327889) is 6-ethyl-4-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-4-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-4-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine is CCc1cc2c(N(C)CC3CCOCC3)nc(N)nc2s1.
What is the InChIKey of 6-ethyl-4-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is BQADLMVXALALKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-3-11-8-12-13(17-15(16)18-14(12)21-11)19(2)9-10-4-6-20-7-5-10/h8,10H,3-7,9H2,1-2H3,(H2,16,17,18).
What are the key properties of 6-ethyl-4-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
6-ethyl-4-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 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103327889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).