4-N-(1-methoxy-2-methylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine

C14H22N4OS — CID 103329999

IUPAC4-N-(1-methoxy-2-methylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(NC(C)(C)COC)c2ccsc2n1
InChIInChI=1S/C14H22N4OS/c1-5-7-15-13-16-11(18-14(2,3)9-19-4)10-6-8-20-12(10)17-13/h6,8H,5,7,9H2,1-4H3,(H2,15,16,17,18)
InChIKeySNMMEMHAJDOTDH-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.35
Rot. Bonds7

About 4-N-(1-methoxy-2-methylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-(1-methoxy-2-methylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103329999) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-N-(1-methoxy-2-methylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-methoxy-2-methylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103329999
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name4-N-(1-methoxy-2-methylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(NC(C)(C)COC)c2ccsc2n1
InChIInChI=1S/C14H22N4OS/c1-5-7-15-13-16-11(18-14(2,3)9-19-4)10-6-8-20-12(10)17-13/h6,8H,5,7,9H2,1-4H3,(H2,15,16,17,18)
InChIKeySNMMEMHAJDOTDH-UHFFFAOYSA-N
XLogP3.35
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(1-methoxy-2-methylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-(3-ethylpentan-3-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328432
4-N-[2-(2-methoxyethoxy)ethyl]-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326766
2-N-methyl-4-N-(2-methylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323418
4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324258
4-methoxy-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331399
4-N-pentan-3-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324118
2-N-propyl-4-N-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329352
4-N-(2-methylsulfonylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325366
4-N-(2-cyclobutylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330068
4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327329
4-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-2-ol
CID 103328395
2-[[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 103324159

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methoxy-2-methylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1-methoxy-2-methylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103329999) is 4-N-(1-methoxy-2-methylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1-methoxy-2-methylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1-methoxy-2-methylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is CCCNc1nc(NC(C)(C)COC)c2ccsc2n1.
What is the InChIKey of 4-N-(1-methoxy-2-methylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is SNMMEMHAJDOTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-5-7-15-13-16-11(18-14(2,3)9-19-4)10-6-8-20-12(10)17-13/h6,8H,5,7,9H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 4-N-(1-methoxy-2-methylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(1-methoxy-2-methylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 294.42 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methoxy-2-methylpropan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103329999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).