N-cyclopentyl-2-[2-(propan-2-ylamino)-4-pyridinyl]thieno[3,2-d]pyrimidin-4-amine

C19H23N5S — CID 158342872

IUPACN-cyclopentyl-2-[2-(propan-2-ylamino)-4-pyridinyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCC(C)Nc1cc(-c2nc(NC3CCCC3)c3sccc3n2)ccn1
InChIInChI=1S/C19H23N5S/c1-12(2)21-16-11-13(7-9-20-16)18-23-15-8-10-25-17(15)19(24-18)22-14-5-3-4-6-14/h7-12,14H,3-6H2,1-2H3,(H,20,21)(H,22,23,24)
InChIKeyGRJGSABNILSSAA-UHFFFAOYSA-N
MW353.50 g/mol
LogP4.93
Rot. Bonds5

About N-cyclopentyl-2-[2-(propan-2-ylamino)-4-pyridinyl]thieno[3,2-d]pyrimidin-4-amine

N-cyclopentyl-2-[2-(propan-2-ylamino)-4-pyridinyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 158342872) has the molecular formula C19H23N5S and a molecular weight of 353.50 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-(propan-2-ylamino)-4-pyridinyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-2-[2-(propan-2-ylamino)-4-pyridinyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID158342872
Molecular FormulaC19H23N5S
Molecular Weight353.50 g/mol
Exact Mass353.17
IUPAC NameN-cyclopentyl-2-[2-(propan-2-ylamino)-4-pyridinyl]thieno[3,2-d]pyrimidin-4-amine
SMILESCC(C)Nc1cc(-c2nc(NC3CCCC3)c3sccc3n2)ccn1
InChIInChI=1S/C19H23N5S/c1-12(2)21-16-11-13(7-9-20-16)18-23-15-8-10-25-17(15)19(24-18)22-14-5-3-4-6-14/h7-12,14H,3-6H2,1-2H3,(H,20,21)(H,22,23,24)
InChIKeyGRJGSABNILSSAA-UHFFFAOYSA-N
XLogP4.93
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[2-(propan-2-ylamino)-4-pyridinyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-cyclopentyl-2-[2-(propan-2-ylamino)-4-pyridinyl]thieno[3,2-d]pyrimidin-4-amine (CID 158342872) is N-cyclopentyl-2-[2-(propan-2-ylamino)-4-pyridinyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopentyl-2-[2-(propan-2-ylamino)-4-pyridinyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclopentyl-2-[2-(propan-2-ylamino)-4-pyridinyl]thieno[3,2-d]pyrimidin-4-amine is CC(C)Nc1cc(-c2nc(NC3CCCC3)c3sccc3n2)ccn1.
What is the InChIKey of N-cyclopentyl-2-[2-(propan-2-ylamino)-4-pyridinyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is GRJGSABNILSSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5S/c1-12(2)21-16-11-13(7-9-20-16)18-23-15-8-10-25-17(15)19(24-18)22-14-5-3-4-6-14/h7-12,14H,3-6H2,1-2H3,(H,20,21)(H,22,23,24).
What are the key properties of N-cyclopentyl-2-[2-(propan-2-ylamino)-4-pyridinyl]thieno[3,2-d]pyrimidin-4-amine?
N-cyclopentyl-2-[2-(propan-2-ylamino)-4-pyridinyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 353.50 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[2-(propan-2-ylamino)-4-pyridinyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 158342872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).