N-ethyl-6-methyl-4-propan-2-yloxythieno[2,3-d]pyrimidin-2-amine

C12H17N3OS — CID 103331498

IUPACN-ethyl-6-methyl-4-propan-2-yloxythieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(OC(C)C)c2cc(C)sc2n1
InChIInChI=1S/C12H17N3OS/c1-5-13-12-14-10(16-7(2)3)9-6-8(4)17-11(9)15-12/h6-7H,5H2,1-4H3,(H,13,14,15)
InChIKeyIYEIVZMXZHJARM-UHFFFAOYSA-N
MW251.35 g/mol
LogP3.22
Rot. Bonds4

About N-ethyl-6-methyl-4-propan-2-yloxythieno[2,3-d]pyrimidin-2-amine

N-ethyl-6-methyl-4-propan-2-yloxythieno[2,3-d]pyrimidin-2-amine (PubChem CID 103331498) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is N-ethyl-6-methyl-4-propan-2-yloxythieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-methyl-4-propan-2-yloxythieno[2,3-d]pyrimidin-2-amine
PubChem CID103331498
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC NameN-ethyl-6-methyl-4-propan-2-yloxythieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(OC(C)C)c2cc(C)sc2n1
InChIInChI=1S/C12H17N3OS/c1-5-13-12-14-10(16-7(2)3)9-6-8(4)17-11(9)15-12/h6-7H,5H2,1-4H3,(H,13,14,15)
InChIKeyIYEIVZMXZHJARM-UHFFFAOYSA-N
XLogP3.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-methyl-4-(2,2,2-trifluoroethoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331371
4-but-3-yn-2-yloxy-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 106795340
4-(1-methoxypropan-2-yloxy)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103332606
4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329938
2-N-ethyl-4-N-(1-methoxypropan-2-yl)-4-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325816
4-(3-chlorophenoxy)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331886
2-N-ethyl-4-N-(3-ethylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327956
2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]-methylamino]propan-1-ol
CID 103329881
N-ethyl-6-methyl-4-(2-thiophen-2-ylethoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332290
N,6-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332952
[4-(1-methoxypropan-2-yloxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336311
2-N-ethyl-4-N,6-dimethyl-4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325641

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-4-propan-2-yloxythieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-ethyl-6-methyl-4-propan-2-yloxythieno[2,3-d]pyrimidin-2-amine (CID 103331498) is N-ethyl-6-methyl-4-propan-2-yloxythieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-6-methyl-4-propan-2-yloxythieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-6-methyl-4-propan-2-yloxythieno[2,3-d]pyrimidin-2-amine is CCNc1nc(OC(C)C)c2cc(C)sc2n1.
What is the InChIKey of N-ethyl-6-methyl-4-propan-2-yloxythieno[2,3-d]pyrimidin-2-amine?
The InChIKey is IYEIVZMXZHJARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-5-13-12-14-10(16-7(2)3)9-6-8(4)17-11(9)15-12/h6-7H,5H2,1-4H3,(H,13,14,15).
What are the key properties of N-ethyl-6-methyl-4-propan-2-yloxythieno[2,3-d]pyrimidin-2-amine?
N-ethyl-6-methyl-4-propan-2-yloxythieno[2,3-d]pyrimidin-2-amine has a molecular weight of 251.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-4-propan-2-yloxythieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103331498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).