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

C13H20N4OS — CID 103330600

IUPAC6-methyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc2c(NCCOCC(C)C)nc(N)nc2s1
InChIInChI=1S/C13H20N4OS/c1-8(2)7-18-5-4-15-11-10-6-9(3)19-12(10)17-13(14)16-11/h6,8H,4-5,7H2,1-3H3,(H3,14,15,16,17)
InChIKeySKDGBAHYZMDDAK-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.67
Rot. Bonds6

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

6-methyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103330600) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 6-methyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103330600
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name6-methyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc2c(NCCOCC(C)C)nc(N)nc2s1
InChIInChI=1S/C13H20N4OS/c1-8(2)7-18-5-4-15-11-10-6-9(3)19-12(10)17-13(14)16-11/h6,8H,4-5,7H2,1-3H3,(H3,14,15,16,17)
InChIKeySKDGBAHYZMDDAK-UHFFFAOYSA-N
XLogP2.67
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-(4-methoxybutyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326737
4-N-(2-ethoxypropyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330055
6-methyl-4-N-(4,4,4-trifluorobutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329359
6-methyl-4-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327997
6-methyl-4-N-(3-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325883
6-methyl-4-N-(2-pyridin-4-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325333
6-methyl-4-N-(2-thiophen-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324377
6-methyl-4-N-(2-thiophen-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325996
4-N-(2-ethoxyethyl)-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325198
6-methyl-4-N-[(4-methylcyclohexyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327663
6-methyl-4-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325324
4-N-(1-methoxy-2-methylpropan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330005

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine (CID 103330600) is 6-methyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine is Cc1cc2c(NCCOCC(C)C)nc(N)nc2s1.
What is the InChIKey of 6-methyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is SKDGBAHYZMDDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-8(2)7-18-5-4-15-11-10-6-9(3)19-12(10)17-13(14)16-11/h6,8H,4-5,7H2,1-3H3,(H3,14,15,16,17).
What are the key properties of 6-methyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine?
6-methyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 280.40 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103330600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).