4-chloro-6-methyl-N-(3-propan-2-yloxypropyl)thieno[2,3-d]pyrimidin-2-amine

C13H18ClN3OS — CID 82309379

IUPAC4-chloro-6-methyl-N-(3-propan-2-yloxypropyl)thieno[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(Cl)nc(NCCCOC(C)C)nc2s1
InChIInChI=1S/C13H18ClN3OS/c1-8(2)18-6-4-5-15-13-16-11(14)10-7-9(3)19-12(10)17-13/h7-8H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyPRANNUKGJZMPID-UHFFFAOYSA-N
MW299.83 g/mol
LogP3.88
Rot. Bonds6

About 4-chloro-6-methyl-N-(3-propan-2-yloxypropyl)thieno[2,3-d]pyrimidin-2-amine

4-chloro-6-methyl-N-(3-propan-2-yloxypropyl)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 82309379) has the molecular formula C13H18ClN3OS and a molecular weight of 299.83 g/mol. Its IUPAC name is 4-chloro-6-methyl-N-(3-propan-2-yloxypropyl)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methyl-N-(3-propan-2-yloxypropyl)thieno[2,3-d]pyrimidin-2-amine
PubChem CID82309379
Molecular FormulaC13H18ClN3OS
Molecular Weight299.83 g/mol
Exact Mass299.09
IUPAC Name4-chloro-6-methyl-N-(3-propan-2-yloxypropyl)thieno[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(Cl)nc(NCCCOC(C)C)nc2s1
InChIInChI=1S/C13H18ClN3OS/c1-8(2)18-6-4-5-15-13-16-11(14)10-7-9(3)19-12(10)17-13/h7-8H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyPRANNUKGJZMPID-UHFFFAOYSA-N
XLogP3.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.83
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-2-amine
CID 82309387
4-chloro-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 82309354
N-benzyl-4-chloro-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 82309363
4-chloro-6-ethyl-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine
CID 82460947
N-ethyl-6-methyl-4-propan-2-yloxythieno[2,3-d]pyrimidin-2-amine
CID 103331498
2-N-ethyl-6-methyl-4-N-(3-propoxypropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329480
4-(1-methoxypropan-2-yloxy)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103332606
4-N-(1-methoxypropan-2-yl)-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324235
4-chloro-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 82316501
4,6-dimethoxy-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine
CID 106012404
2-[3-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]propoxy]ethanol
CID 106311471
4-chloro-N-(2-methylpropyl)-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine
CID 82309544

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-N-(3-propan-2-yloxypropyl)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-methyl-N-(3-propan-2-yloxypropyl)thieno[2,3-d]pyrimidin-2-amine (CID 82309379) is 4-chloro-6-methyl-N-(3-propan-2-yloxypropyl)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-methyl-N-(3-propan-2-yloxypropyl)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-methyl-N-(3-propan-2-yloxypropyl)thieno[2,3-d]pyrimidin-2-amine is Cc1cc2c(Cl)nc(NCCCOC(C)C)nc2s1.
What is the InChIKey of 4-chloro-6-methyl-N-(3-propan-2-yloxypropyl)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is PRANNUKGJZMPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3OS/c1-8(2)18-6-4-5-15-13-16-11(14)10-7-9(3)19-12(10)17-13/h7-8H,4-6H2,1-3H3,(H,15,16,17).
What are the key properties of 4-chloro-6-methyl-N-(3-propan-2-yloxypropyl)thieno[2,3-d]pyrimidin-2-amine?
4-chloro-6-methyl-N-(3-propan-2-yloxypropyl)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 299.83 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-N-(3-propan-2-yloxypropyl)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 82309379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).