N,6-dimethyl-4-pent-4-enoxythieno[2,3-d]pyrimidin-2-amine

C13H17N3OS — CID 103332934

IUPACN,6-dimethyl-4-pent-4-enoxythieno[2,3-d]pyrimidin-2-amine
SMILESC=CCCCOc1nc(NC)nc2sc(C)cc12
InChIInChI=1S/C13H17N3OS/c1-4-5-6-7-17-11-10-8-9(2)18-12(10)16-13(14-3)15-11/h4,8H,1,5-7H2,2-3H3,(H,14,15,16)
InChIKeyUKMMATDCYVIHDZ-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.39
Rot. Bonds6

About N,6-dimethyl-4-pent-4-enoxythieno[2,3-d]pyrimidin-2-amine

N,6-dimethyl-4-pent-4-enoxythieno[2,3-d]pyrimidin-2-amine (PubChem CID 103332934) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N,6-dimethyl-4-pent-4-enoxythieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN,6-dimethyl-4-pent-4-enoxythieno[2,3-d]pyrimidin-2-amine
PubChem CID103332934
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN,6-dimethyl-4-pent-4-enoxythieno[2,3-d]pyrimidin-2-amine
SMILESC=CCCCOc1nc(NC)nc2sc(C)cc12
InChIInChI=1S/C13H17N3OS/c1-4-5-6-7-17-11-10-8-9(2)18-12(10)16-13(14-3)15-11/h4,8H,1,5-7H2,2-3H3,(H,14,15,16)
InChIKeyUKMMATDCYVIHDZ-UHFFFAOYSA-N
XLogP3.39
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103331394
4-[(2-bromophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103333313
4-hexoxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331315
4-[(3-chlorophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103332822
2-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)oxy-N,N-dimethylethanamine
CID 103336247
[4-(2-butoxyethoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336016
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
[4-(2-cyclopropylethoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 106207865
4-[3-(dimethylamino)propoxy]-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332122
4-N-(4-methoxybutan-2-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328333
N,6-dimethyl-4-(oxan-4-yloxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332150

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-4-pent-4-enoxythieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N,6-dimethyl-4-pent-4-enoxythieno[2,3-d]pyrimidin-2-amine (CID 103332934) is N,6-dimethyl-4-pent-4-enoxythieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N,6-dimethyl-4-pent-4-enoxythieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N,6-dimethyl-4-pent-4-enoxythieno[2,3-d]pyrimidin-2-amine is C=CCCCOc1nc(NC)nc2sc(C)cc12.
What is the InChIKey of N,6-dimethyl-4-pent-4-enoxythieno[2,3-d]pyrimidin-2-amine?
The InChIKey is UKMMATDCYVIHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-4-5-6-7-17-11-10-8-9(2)18-12(10)16-13(14-3)15-11/h4,8H,1,5-7H2,2-3H3,(H,14,15,16).
What are the key properties of N,6-dimethyl-4-pent-4-enoxythieno[2,3-d]pyrimidin-2-amine?
N,6-dimethyl-4-pent-4-enoxythieno[2,3-d]pyrimidin-2-amine has a molecular weight of 263.37 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-4-pent-4-enoxythieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103332934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).