4-N-(3,4-dimethylcyclohexyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine

C16H24N4S — CID 103328381

IUPAC4-N-(3,4-dimethylcyclohexyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NC2CCC(C)C(C)C2)c2cc(C)sc2n1
InChIInChI=1S/C16H24N4S/c1-9-5-6-12(7-10(9)2)18-14-13-8-11(3)21-15(13)20-16(17-4)19-14/h8-10,12H,5-7H2,1-4H3,(H2,17,18,19,20)
InChIKeyCMRGECXDBSKPGB-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.28
Rot. Bonds3

About 4-N-(3,4-dimethylcyclohexyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-(3,4-dimethylcyclohexyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103328381) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 4-N-(3,4-dimethylcyclohexyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,4-dimethylcyclohexyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103328381
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name4-N-(3,4-dimethylcyclohexyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NC2CCC(C)C(C)C2)c2cc(C)sc2n1
InChIInChI=1S/C16H24N4S/c1-9-5-6-12(7-10(9)2)18-14-13-8-11(3)21-15(13)20-16(17-4)19-14/h8-10,12H,5-7H2,1-4H3,(H2,17,18,19,20)
InChIKeyCMRGECXDBSKPGB-UHFFFAOYSA-N
XLogP4.28
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(3,4-dimethylcyclohexyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-cyclopropyl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324095
2-N,6-dimethyl-4-N-(3-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324733
3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 103328691
2-N,6-dimethyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325220
2-N,6-dimethyl-4-N-(1-methylpyrrolidin-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325873
6-ethyl-2-N-methyl-4-N-(3-methylcyclopentyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330658
4-N-(1-ethylpiperidin-3-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326015
benzene;N-cyclopropyl-6-methyl-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
CID 166120001
4-N-(cyclopentylmethyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324744
[2-[[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 103328663
2-hydrazinyl-6-methyl-N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 103335312
4-(3,4-dimethylpyrrolidin-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103328825

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dimethylcyclohexyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,4-dimethylcyclohexyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103328381) is 4-N-(3,4-dimethylcyclohexyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,4-dimethylcyclohexyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,4-dimethylcyclohexyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine is CNc1nc(NC2CCC(C)C(C)C2)c2cc(C)sc2n1.
What is the InChIKey of 4-N-(3,4-dimethylcyclohexyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is CMRGECXDBSKPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-9-5-6-12(7-10(9)2)18-14-13-8-11(3)21-15(13)20-16(17-4)19-14/h8-10,12H,5-7H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 4-N-(3,4-dimethylcyclohexyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(3,4-dimethylcyclohexyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 304.46 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dimethylcyclohexyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103328381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).