N,6-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-amine

C11H12F3N3OS — CID 103332952

IUPACN,6-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(OC(C)C(F)(F)F)c2cc(C)sc2n1
InChIInChI=1S/C11H12F3N3OS/c1-5-4-7-8(18-6(2)11(12,13)14)16-10(15-3)17-9(7)19-5/h4,6H,1-3H3,(H,15,16,17)
InChIKeySUBDZJOGGBBUMT-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.37
Rot. Bonds3

About N,6-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-amine

N,6-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103332952) has the molecular formula C11H12F3N3OS and a molecular weight of 291.30 g/mol. Its IUPAC name is N,6-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN,6-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103332952
Molecular FormulaC11H12F3N3OS
Molecular Weight291.30 g/mol
Exact Mass291.07
IUPAC NameN,6-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(OC(C)C(F)(F)F)c2cc(C)sc2n1
InChIInChI=1S/C11H12F3N3OS/c1-5-4-7-8(18-6(2)11(12,13)14)16-10(15-3)17-9(7)19-5/h4,6H,1-3H3,(H,15,16,17)
InChIKeySUBDZJOGGBBUMT-UHFFFAOYSA-N
XLogP3.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,6-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-amine with MolForge

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Related Compounds

2-chloro-6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidine
CID 103320167
4-methoxy-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103331394
N-ethyl-6-methyl-4-propan-2-yloxythieno[2,3-d]pyrimidin-2-amine
CID 103331498
N,6-dimethyl-4-(oxan-4-yloxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332150
4-(3,5-dimethylcyclohexyl)oxy-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103332845
4-(4-chlorophenoxy)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103331812
4-N-butan-2-yl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324085
N,6-dimethyl-4-pent-4-enoxythieno[2,3-d]pyrimidin-2-amine
CID 103332934
2-N,6-dimethyl-4-N,4-N-bis(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325508
4-N-cyclopropyl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324095
4-N-(3,3-dimethylbutan-2-yl)-2-N,4-N,6-trimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326567
[4-(1-methoxypropan-2-yloxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336311

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N,6-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-amine (CID 103332952) is N,6-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N,6-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N,6-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-amine is CNc1nc(OC(C)C(F)(F)F)c2cc(C)sc2n1.
What is the InChIKey of N,6-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is SUBDZJOGGBBUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3OS/c1-5-4-7-8(18-6(2)11(12,13)14)16-10(15-3)17-9(7)19-5/h4,6H,1-3H3,(H,15,16,17).
What are the key properties of N,6-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-amine?
N,6-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 291.30 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103332952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).