3-[2-amino-6-[(4-ethyl-1,3-thiazol-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol

C14H19N5OS — CID 91763280

IUPAC3-[2-amino-6-[(4-ethyl-1,3-thiazol-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCCc1csc(CNc2cc(C3CC(O)C3)nc(N)n2)n1
InChIInChI=1S/C14H19N5OS/c1-2-9-7-21-13(17-9)6-16-12-5-11(18-14(15)19-12)8-3-10(20)4-8/h5,7-8,10,20H,2-4,6H2,1H3,(H3,15,16,18,19)
InChIKeyDBTKBKYQVNZYAS-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.93
Rot. Bonds5

About 3-[2-amino-6-[(4-ethyl-1,3-thiazol-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol

3-[2-amino-6-[(4-ethyl-1,3-thiazol-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91763280) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 3-[2-amino-6-[(4-ethyl-1,3-thiazol-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-amino-6-[(4-ethyl-1,3-thiazol-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91763280
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name3-[2-amino-6-[(4-ethyl-1,3-thiazol-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCCc1csc(CNc2cc(C3CC(O)C3)nc(N)n2)n1
InChIInChI=1S/C14H19N5OS/c1-2-9-7-21-13(17-9)6-16-12-5-11(18-14(15)19-12)8-3-10(20)4-8/h5,7-8,10,20H,2-4,6H2,1H3,(H3,15,16,18,19)
InChIKeyDBTKBKYQVNZYAS-UHFFFAOYSA-N
XLogP1.93
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-[(4-ethyl-1,3-thiazol-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-amino-6-[(4-ethyl-1,3-thiazol-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91763280) is 3-[2-amino-6-[(4-ethyl-1,3-thiazol-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-amino-6-[(4-ethyl-1,3-thiazol-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-amino-6-[(4-ethyl-1,3-thiazol-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol is CCc1csc(CNc2cc(C3CC(O)C3)nc(N)n2)n1.
What is the InChIKey of 3-[2-amino-6-[(4-ethyl-1,3-thiazol-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is DBTKBKYQVNZYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-2-9-7-21-13(17-9)6-16-12-5-11(18-14(15)19-12)8-3-10(20)4-8/h5,7-8,10,20H,2-4,6H2,1H3,(H3,15,16,18,19).
What are the key properties of 3-[2-amino-6-[(4-ethyl-1,3-thiazol-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-amino-6-[(4-ethyl-1,3-thiazol-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 305.41 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-6-[(4-ethyl-1,3-thiazol-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91763280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).