4-N-pentan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine

C11H16N4S — CID 121402886

IUPAC4-N-pentan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine
SMILESCCCC(C)Nc1nc(N)nc2ccsc12
InChIInChI=1S/C11H16N4S/c1-3-4-7(2)13-10-9-8(5-6-16-9)14-11(12)15-10/h5-7H,3-4H2,1-2H3,(H3,12,13,14,15)
InChIKeyJWMVJOXAALGCNQ-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.87
Rot. Bonds4

About 4-N-pentan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine

4-N-pentan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 121402886) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 4-N-pentan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-pentan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID121402886
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name4-N-pentan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine
SMILESCCCC(C)Nc1nc(N)nc2ccsc12
InChIInChI=1S/C11H16N4S/c1-3-4-7(2)13-10-9-8(5-6-16-9)14-11(12)15-10/h5-7H,3-4H2,1-2H3,(H3,12,13,14,15)
InChIKeyJWMVJOXAALGCNQ-UHFFFAOYSA-N
XLogP2.87
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 121402889
4-N-(2-methylpentan-3-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 112750443
N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 43236191
4-N-(1-methylsulfanylbutan-2-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 112750530
(5R)-5-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]nonan-2-one
CID 158505889
2-amino-6-chloro-4-[[(2R)-pentan-2-yl]amino]pyrido[4,3-d]pyrimidin-5-one
CID 170186588
3-methyl-N-pentan-2-ylquinoxalin-2-amine
CID 60734285
6-methyl-2-N-pentan-2-ylpyridine-2,3-diamine
CID 81132763
4-N-(1-methylpiperidin-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 112750428
N-pentan-2-ylthieno[3,2-c]pyridin-4-amine
CID 43522745
4-N-(4-methoxycyclohexyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 145256416
3-[(2-aminoquinazolin-4-yl)amino]butan-1-ol
CID 83179969

Frequently Asked Questions

What is the IUPAC name of 4-N-pentan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-pentan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine (CID 121402886) is 4-N-pentan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-pentan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-pentan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine is CCCC(C)Nc1nc(N)nc2ccsc12.
What is the InChIKey of 4-N-pentan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is JWMVJOXAALGCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-3-4-7(2)13-10-9-8(5-6-16-9)14-11(12)15-10/h5-7H,3-4H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 4-N-pentan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine?
4-N-pentan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 236.34 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-pentan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 121402886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).