4-(3,5-dimethylcyclohexyl)oxy-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine

C16H23N3OS — CID 103332845

IUPAC4-(3,5-dimethylcyclohexyl)oxy-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(OC2CC(C)CC(C)C2)c2cc(C)sc2n1
InChIInChI=1S/C16H23N3OS/c1-9-5-10(2)7-12(6-9)20-14-13-8-11(3)21-15(13)19-16(17-4)18-14/h8-10,12H,5-7H2,1-4H3,(H,17,18,19)
InChIKeyLJUQOQOEFGUZOM-UHFFFAOYSA-N
MW305.45 g/mol
LogP4.24
Rot. Bonds3

About 4-(3,5-dimethylcyclohexyl)oxy-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine

4-(3,5-dimethylcyclohexyl)oxy-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103332845) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 4-(3,5-dimethylcyclohexyl)oxy-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,5-dimethylcyclohexyl)oxy-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103332845
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name4-(3,5-dimethylcyclohexyl)oxy-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(OC2CC(C)CC(C)C2)c2cc(C)sc2n1
InChIInChI=1S/C16H23N3OS/c1-9-5-10(2)7-12(6-9)20-14-13-8-11(3)21-15(13)19-16(17-4)18-14/h8-10,12H,5-7H2,1-4H3,(H,17,18,19)
InChIKeyLJUQOQOEFGUZOM-UHFFFAOYSA-N
XLogP4.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,6-dimethyl-4-(oxan-4-yloxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332150
[6-methyl-4-(3-methylcyclohexyl)oxythieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336033
4-methoxy-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103331394
2-N,6-dimethyl-4-N-(3-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324733
4-N-cyclopropyl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324095
N,6-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332952
2-N,6-dimethyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325220
3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 103328691
4-(4-chlorophenoxy)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103331812
4-N-(3,4-dimethylcyclohexyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328381
6-methyl-4-(oxolan-3-yloxy)-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103332717
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-(3,5-dimethylcyclohexyl)oxy-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(3,5-dimethylcyclohexyl)oxy-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine (CID 103332845) is 4-(3,5-dimethylcyclohexyl)oxy-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(3,5-dimethylcyclohexyl)oxy-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(3,5-dimethylcyclohexyl)oxy-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine is CNc1nc(OC2CC(C)CC(C)C2)c2cc(C)sc2n1.
What is the InChIKey of 4-(3,5-dimethylcyclohexyl)oxy-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is LJUQOQOEFGUZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-9-5-10(2)7-12(6-9)20-14-13-8-11(3)21-15(13)19-16(17-4)18-14/h8-10,12H,5-7H2,1-4H3,(H,17,18,19).
What are the key properties of 4-(3,5-dimethylcyclohexyl)oxy-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
4-(3,5-dimethylcyclohexyl)oxy-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 305.45 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylcyclohexyl)oxy-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103332845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).