4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine

C13H20N4O2S — CID 103326506

IUPAC4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCOCCN(c1nc(N)nc2sccc12)C(C)COC
InChIInChI=1S/C13H20N4O2S/c1-9(8-19-3)17(5-6-18-2)11-10-4-7-20-12(10)16-13(14)15-11/h4,7,9H,5-6,8H2,1-3H3,(H2,14,15,16)
InChIKeyXBHCPOMRRURRNX-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.76
Rot. Bonds7

About 4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine

4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103326506) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103326506
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCOCCN(c1nc(N)nc2sccc12)C(C)COC
InChIInChI=1S/C13H20N4O2S/c1-9(8-19-3)17(5-6-18-2)11-10-4-7-20-12(10)16-13(14)15-11/h4,7,9H,5-6,8H2,1-3H3,(H2,14,15,16)
InChIKeyXBHCPOMRRURRNX-UHFFFAOYSA-N
XLogP1.76
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 103335528
4-N-butan-2-yl-6-ethyl-4-N-(2-methoxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326475
2-[[2-methoxyethyl(pentan-3-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62209146
4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326605
2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321205
4-N,4-N-dibutylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323225
4-N-methyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324681
6-methoxy-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine
CID 115320609
4-N-(1-methoxypropan-2-yl)-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325817
4-(2-methylpropoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331483
3-bromo-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)pyridine-2,5-diamine
CID 79535258
5-(bromomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 107082047

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103326506) is 4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine is COCCN(c1nc(N)nc2sccc12)C(C)COC.
What is the InChIKey of 4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is XBHCPOMRRURRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-9(8-19-3)17(5-6-18-2)11-10-4-7-20-12(10)16-13(14)15-11/h4,7,9H,5-6,8H2,1-3H3,(H2,14,15,16).
What are the key properties of 4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 296.40 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103326506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).