6-methyl-4-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine

C14H22N4S — CID 103327997

IUPAC6-methyl-4-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc2c(NC(C)CCC(C)C)nc(N)nc2s1
InChIInChI=1S/C14H22N4S/c1-8(2)5-6-9(3)16-12-11-7-10(4)19-13(11)18-14(15)17-12/h7-9H,5-6H2,1-4H3,(H3,15,16,17,18)
InChIKeyGBDUZGBUKWXLJG-UHFFFAOYSA-N
MW278.43 g/mol
LogP3.82
Rot. Bonds5

About 6-methyl-4-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine

6-methyl-4-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103327997) has the molecular formula C14H22N4S and a molecular weight of 278.43 g/mol. Its IUPAC name is 6-methyl-4-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103327997
Molecular FormulaC14H22N4S
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC Name6-methyl-4-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc2c(NC(C)CCC(C)C)nc(N)nc2s1
InChIInChI=1S/C14H22N4S/c1-8(2)5-6-9(3)16-12-11-7-10(4)19-13(11)18-14(15)17-12/h7-9H,5-6H2,1-4H3,(H3,15,16,17,18)
InChIKeyGBDUZGBUKWXLJG-UHFFFAOYSA-N
XLogP3.82
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-methyl-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103321761
6-methyl-4-N-(3-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325883
6-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326002
4-N-(1-cyclopentylethyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328103
4-N-[1-(4-fluorophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326091
4-N-[1-(4-bromophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326112
4-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329700
6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
CID 107765903
6-methyl-4-N-[2-(2-methylpropoxy)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330600
6-methyl-4-N-(1-thiophen-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327402
6-methyl-4-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328266
4-N-[4-(dimethylamino)butan-2-yl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326193

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103327997) is 6-methyl-4-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine is Cc1cc2c(NC(C)CCC(C)C)nc(N)nc2s1.
What is the InChIKey of 6-methyl-4-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is GBDUZGBUKWXLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-8(2)5-6-9(3)16-12-11-7-10(4)19-13(11)18-14(15)17-12/h7-9H,5-6H2,1-4H3,(H3,15,16,17,18).
What are the key properties of 6-methyl-4-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
6-methyl-4-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 278.43 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103327997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).