4-chloro-N-(2-methylpropyl)-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine

C13H18ClN3S — CID 82309544

IUPAC4-chloro-N-(2-methylpropyl)-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine
SMILESCC(C)CNc1nc(Cl)c2cc(C(C)C)sc2n1
InChIInChI=1S/C13H18ClN3S/c1-7(2)6-15-13-16-11(14)9-5-10(8(3)4)18-12(9)17-13/h5,7-8H,6H2,1-4H3,(H,15,16,17)
InChIKeyQODGCHDDXSJRTG-UHFFFAOYSA-N
MW283.83 g/mol
LogP4.54
Rot. Bonds4

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

4-chloro-N-(2-methylpropyl)-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 82309544) has the molecular formula C13H18ClN3S and a molecular weight of 283.83 g/mol. Its IUPAC name is 4-chloro-N-(2-methylpropyl)-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-methylpropyl)-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine
PubChem CID82309544
Molecular FormulaC13H18ClN3S
Molecular Weight283.83 g/mol
Exact Mass283.09
IUPAC Name4-chloro-N-(2-methylpropyl)-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine
SMILESCC(C)CNc1nc(Cl)c2cc(C(C)C)sc2n1
InChIInChI=1S/C13H18ClN3S/c1-7(2)6-15-13-16-11(14)9-5-10(8(3)4)18-12(9)17-13/h5,7-8H,6H2,1-4H3,(H,15,16,17)
InChIKeyQODGCHDDXSJRTG-UHFFFAOYSA-N
XLogP4.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.83
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-ethyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine
CID 82309547
4-chloro-N-methyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine
CID 82309556
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-propylthieno[2,3-d]pyrimidin-2-amine
CID 82309354
4-chloro-6-methyl-N-(3-propan-2-yloxypropyl)thieno[2,3-d]pyrimidin-2-amine
CID 82309379
[4-chloro-2-(2-methylpropylamino)-1,3-thiazol-5-yl]methanol
CID 130679999
6-chloro-4-N-(2-methylpropyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 12539649
6-methyl-2-(2-methylpropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109320900
4,6-dibromo-N-(2-methylpropyl)-1,3,5-triazin-2-amine
CID 23618331
6-chloro-2-N,2-N-dimethyl-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 62869363
2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324100

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methylpropyl)-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-(2-methylpropyl)-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine (CID 82309544) is 4-chloro-N-(2-methylpropyl)-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-(2-methylpropyl)-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-(2-methylpropyl)-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine is CC(C)CNc1nc(Cl)c2cc(C(C)C)sc2n1.
What is the InChIKey of 4-chloro-N-(2-methylpropyl)-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is QODGCHDDXSJRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3S/c1-7(2)6-15-13-16-11(14)9-5-10(8(3)4)18-12(9)17-13/h5,7-8H,6H2,1-4H3,(H,15,16,17).
What are the key properties of 4-chloro-N-(2-methylpropyl)-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine?
4-chloro-N-(2-methylpropyl)-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 283.83 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methylpropyl)-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 82309544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).