4-chloro-N-ethyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine

C11H14ClN3S — CID 82309547

IUPAC4-chloro-N-ethyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Cl)c2cc(C(C)C)sc2n1
InChIInChI=1S/C11H14ClN3S/c1-4-13-11-14-9(12)7-5-8(6(2)3)16-10(7)15-11/h5-6H,4H2,1-3H3,(H,13,14,15)
InChIKeyNWWBTNLUNJQTBW-UHFFFAOYSA-N
MW255.77 g/mol
LogP3.90
Rot. Bonds3

About 4-chloro-N-ethyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine

4-chloro-N-ethyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 82309547) has the molecular formula C11H14ClN3S and a molecular weight of 255.77 g/mol. Its IUPAC name is 4-chloro-N-ethyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine
PubChem CID82309547
Molecular FormulaC11H14ClN3S
Molecular Weight255.77 g/mol
Exact Mass255.06
IUPAC Name4-chloro-N-ethyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Cl)c2cc(C(C)C)sc2n1
InChIInChI=1S/C11H14ClN3S/c1-4-13-11-14-9(12)7-5-8(6(2)3)16-10(7)15-11/h5-6H,4H2,1-3H3,(H,13,14,15)
InChIKeyNWWBTNLUNJQTBW-UHFFFAOYSA-N
XLogP3.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-methylpropyl)-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine
CID 82309544
4-chloro-N-methyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine
CID 82309556
4-chloro-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 82309354
4-chloro-6-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-2-amine
CID 82309387
N-benzyl-4-chloro-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 82309363
4-chloro-6-methyl-N-(3-propan-2-yloxypropyl)thieno[2,3-d]pyrimidin-2-amine
CID 82309379
N-ethyl-6-methyl-4-propan-2-yloxythieno[2,3-d]pyrimidin-2-amine
CID 103331498
2-N,6-diethyl-4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329665
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-(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,6-diethyl-4-(3-methylbutan-2-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
CID 107765560

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-ethyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine (CID 82309547) is 4-chloro-N-ethyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-ethyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-ethyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine is CCNc1nc(Cl)c2cc(C(C)C)sc2n1.
What is the InChIKey of 4-chloro-N-ethyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is NWWBTNLUNJQTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3S/c1-4-13-11-14-9(12)7-5-8(6(2)3)16-10(7)15-11/h5-6H,4H2,1-3H3,(H,13,14,15).
What are the key properties of 4-chloro-N-ethyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine?
4-chloro-N-ethyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 255.77 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 82309547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).