4-[4-(propan-2-ylamino)thieno[3,2-d]pyrimidin-7-yl]phenol

C15H15N3OS — CID 59447503

IUPAC4-[4-(propan-2-ylamino)thieno[3,2-d]pyrimidin-7-yl]phenol
SMILESCC(C)Nc1ncnc2c(-c3ccc(O)cc3)csc12
InChIInChI=1S/C15H15N3OS/c1-9(2)18-15-14-13(16-8-17-15)12(7-20-14)10-3-5-11(19)6-4-10/h3-9,19H,1-2H3,(H,16,17,18)
InChIKeyRVMQQPPYLOFZJQ-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.88
Rot. Bonds3

About 4-[4-(propan-2-ylamino)thieno[3,2-d]pyrimidin-7-yl]phenol

4-[4-(propan-2-ylamino)thieno[3,2-d]pyrimidin-7-yl]phenol (PubChem CID 59447503) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-[4-(propan-2-ylamino)thieno[3,2-d]pyrimidin-7-yl]phenol.

Molecular Properties

Compound Name4-[4-(propan-2-ylamino)thieno[3,2-d]pyrimidin-7-yl]phenol
PubChem CID59447503
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name4-[4-(propan-2-ylamino)thieno[3,2-d]pyrimidin-7-yl]phenol
SMILESCC(C)Nc1ncnc2c(-c3ccc(O)cc3)csc12
InChIInChI=1S/C15H15N3OS/c1-9(2)18-15-14-13(16-8-17-15)12(7-20-14)10-3-5-11(19)6-4-10/h3-9,19H,1-2H3,(H,16,17,18)
InChIKeyRVMQQPPYLOFZJQ-UHFFFAOYSA-N
XLogP3.88
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(propan-2-ylamino)thieno[3,2-d]pyrimidin-7-yl]phenol?
The IUPAC name of 4-[4-(propan-2-ylamino)thieno[3,2-d]pyrimidin-7-yl]phenol (CID 59447503) is 4-[4-(propan-2-ylamino)thieno[3,2-d]pyrimidin-7-yl]phenol.
What is the SMILES notation for 4-[4-(propan-2-ylamino)thieno[3,2-d]pyrimidin-7-yl]phenol?
The canonical SMILES for 4-[4-(propan-2-ylamino)thieno[3,2-d]pyrimidin-7-yl]phenol is CC(C)Nc1ncnc2c(-c3ccc(O)cc3)csc12.
What is the InChIKey of 4-[4-(propan-2-ylamino)thieno[3,2-d]pyrimidin-7-yl]phenol?
The InChIKey is RVMQQPPYLOFZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-9(2)18-15-14-13(16-8-17-15)12(7-20-14)10-3-5-11(19)6-4-10/h3-9,19H,1-2H3,(H,16,17,18).
What are the key properties of 4-[4-(propan-2-ylamino)thieno[3,2-d]pyrimidin-7-yl]phenol?
4-[4-(propan-2-ylamino)thieno[3,2-d]pyrimidin-7-yl]phenol has a molecular weight of 285.37 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(propan-2-ylamino)thieno[3,2-d]pyrimidin-7-yl]phenol is sourced from PubChem (CID 59447503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).