3-[[4-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol

C16H15N5OS — CID 154070317

IUPAC3-[[4-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol
SMILESNc1nc(C2CC2)c(-c2ccnc(Nc3cccc(O)c3)n2)s1
InChIInChI=1S/C16H15N5OS/c17-15-21-13(9-4-5-9)14(23-15)12-6-7-18-16(20-12)19-10-2-1-3-11(22)8-10/h1-3,6-9,22H,4-5H2,(H2,17,21)(H,18,19,20)
InChIKeyFOLKZNITQIEPGD-UHFFFAOYSA-N
MW325.40 g/mol
LogP3.51
Rot. Bonds4

About 3-[[4-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol

3-[[4-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol (PubChem CID 154070317) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 3-[[4-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol.

Molecular Properties

Compound Name3-[[4-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol
PubChem CID154070317
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name3-[[4-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol
SMILESNc1nc(C2CC2)c(-c2ccnc(Nc3cccc(O)c3)n2)s1
InChIInChI=1S/C16H15N5OS/c17-15-21-13(9-4-5-9)14(23-15)12-6-7-18-16(20-12)19-10-2-1-3-11(22)8-10/h1-3,6-9,22H,4-5H2,(H2,17,21)(H,18,19,20)
InChIKeyFOLKZNITQIEPGD-UHFFFAOYSA-N
XLogP3.51
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol?
The IUPAC name of 3-[[4-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol (CID 154070317) is 3-[[4-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol.
What is the SMILES notation for 3-[[4-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol?
The canonical SMILES for 3-[[4-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol is Nc1nc(C2CC2)c(-c2ccnc(Nc3cccc(O)c3)n2)s1.
What is the InChIKey of 3-[[4-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol?
The InChIKey is FOLKZNITQIEPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c17-15-21-13(9-4-5-9)14(23-15)12-6-7-18-16(20-12)19-10-2-1-3-11(22)8-10/h1-3,6-9,22H,4-5H2,(H2,17,21)(H,18,19,20).
What are the key properties of 3-[[4-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol?
3-[[4-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol has a molecular weight of 325.40 g/mol, XLogP of 3.51, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol is sourced from PubChem (CID 154070317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).