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

C13H17N3O2S — CID 103332150

IUPACN,6-dimethyl-4-(oxan-4-yloxy)thieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(OC2CCOCC2)c2cc(C)sc2n1
InChIInChI=1S/C13H17N3O2S/c1-8-7-10-11(18-9-3-5-17-6-4-9)15-13(14-2)16-12(10)19-8/h7,9H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyMHMFPXXHZWISPB-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.60
Rot. Bonds3

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

N,6-dimethyl-4-(oxan-4-yloxy)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103332150) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is N,6-dimethyl-4-(oxan-4-yloxy)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN,6-dimethyl-4-(oxan-4-yloxy)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103332150
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC NameN,6-dimethyl-4-(oxan-4-yloxy)thieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(OC2CCOCC2)c2cc(C)sc2n1
InChIInChI=1S/C13H17N3O2S/c1-8-7-10-11(18-9-3-5-17-6-4-9)15-13(14-2)16-12(10)19-8/h7,9H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyMHMFPXXHZWISPB-UHFFFAOYSA-N
XLogP2.60
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,6-dimethyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325220
4-(3,5-dimethylcyclohexyl)oxy-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103332845
6-methyl-4-(oxolan-3-yloxy)-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103332717
4-methoxy-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103331394
4-N-cyclopropyl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324095
[6-methyl-4-(3-methylcyclohexyl)oxythieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336033
N,6-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332952
4-(4-chlorophenoxy)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103331812
2-N,6-dimethyl-4-N-(3-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324733
4-N-(cyclopropylmethyl)-2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325739
4-N-(cyclopentylmethyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324744
N,6-dimethyl-4-pent-4-enoxythieno[2,3-d]pyrimidin-2-amine
CID 103332934

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-4-(oxan-4-yloxy)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N,6-dimethyl-4-(oxan-4-yloxy)thieno[2,3-d]pyrimidin-2-amine (CID 103332150) is N,6-dimethyl-4-(oxan-4-yloxy)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N,6-dimethyl-4-(oxan-4-yloxy)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N,6-dimethyl-4-(oxan-4-yloxy)thieno[2,3-d]pyrimidin-2-amine is CNc1nc(OC2CCOCC2)c2cc(C)sc2n1.
What is the InChIKey of N,6-dimethyl-4-(oxan-4-yloxy)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is MHMFPXXHZWISPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-8-7-10-11(18-9-3-5-17-6-4-9)15-13(14-2)16-12(10)19-8/h7,9H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of N,6-dimethyl-4-(oxan-4-yloxy)thieno[2,3-d]pyrimidin-2-amine?
N,6-dimethyl-4-(oxan-4-yloxy)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 279.36 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-4-(oxan-4-yloxy)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103332150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).