4-N-(4-methoxycyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine

C13H18N4OS — CID 145256416

IUPAC4-N-(4-methoxycyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCOC1CCC(Nc2nc(N)nc3ccsc23)CC1
InChIInChI=1S/C13H18N4OS/c1-18-9-4-2-8(3-5-9)15-12-11-10(6-7-19-11)16-13(14)17-12/h6-9H,2-5H2,1H3,(H3,14,15,16,17)
InChIKeyBRXYNYHFILZAJB-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.64
Rot. Bonds3

About 4-N-(4-methoxycyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine

4-N-(4-methoxycyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 145256416) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-N-(4-methoxycyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-methoxycyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID145256416
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name4-N-(4-methoxycyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCOC1CCC(Nc2nc(N)nc3ccsc23)CC1
InChIInChI=1S/C13H18N4OS/c1-18-9-4-2-8(3-5-9)15-12-11-10(6-7-19-11)16-13(14)17-12/h6-9H,2-5H2,1H3,(H3,14,15,16,17)
InChIKeyBRXYNYHFILZAJB-UHFFFAOYSA-N
XLogP2.64
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxycyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-methoxycyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 145256416) is 4-N-(4-methoxycyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-methoxycyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-methoxycyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine is COC1CCC(Nc2nc(N)nc3ccsc23)CC1.
What is the InChIKey of 4-N-(4-methoxycyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is BRXYNYHFILZAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-18-9-4-2-8(3-5-9)15-12-11-10(6-7-19-11)16-13(14)17-12/h6-9H,2-5H2,1H3,(H3,14,15,16,17).
What are the key properties of 4-N-(4-methoxycyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine?
4-N-(4-methoxycyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 278.38 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxycyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 145256416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).