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

C17H24N6OS — CID 91767586

IUPAC3-[2-amino-6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(CN2CCN(c3cc(C4CC(O)C4)nc(N)n3)CC2)cs1
InChIInChI=1S/C17H24N6OS/c1-11-19-13(10-25-11)9-22-2-4-23(5-3-22)16-8-15(20-17(18)21-16)12-6-14(24)7-12/h8,10,12,14,24H,2-7,9H2,1H3,(H2,18,20,21)
InChIKeyPEMICQFQLXSFLB-UHFFFAOYSA-N
MW360.49 g/mol
LogP1.38
Rot. Bonds4

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

3-[2-amino-6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91767586) has the molecular formula C17H24N6OS and a molecular weight of 360.49 g/mol. Its IUPAC name is 3-[2-amino-6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-amino-6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91767586
Molecular FormulaC17H24N6OS
Molecular Weight360.49 g/mol
Exact Mass360.17
IUPAC Name3-[2-amino-6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(CN2CCN(c3cc(C4CC(O)C4)nc(N)n3)CC2)cs1
InChIInChI=1S/C17H24N6OS/c1-11-19-13(10-25-11)9-22-2-4-23(5-3-22)16-8-15(20-17(18)21-16)12-6-14(24)7-12/h8,10,12,14,24H,2-7,9H2,1H3,(H2,18,20,21)
InChIKeyPEMICQFQLXSFLB-UHFFFAOYSA-N
XLogP1.38
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-amino-6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol (CID 91767586) is 3-[2-amino-6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-amino-6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-amino-6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol is Cc1nc(CN2CCN(c3cc(C4CC(O)C4)nc(N)n3)CC2)cs1.
What is the InChIKey of 3-[2-amino-6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is PEMICQFQLXSFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6OS/c1-11-19-13(10-25-11)9-22-2-4-23(5-3-22)16-8-15(20-17(18)21-16)12-6-14(24)7-12/h8,10,12,14,24H,2-7,9H2,1H3,(H2,18,20,21).
What are the key properties of 3-[2-amino-6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-amino-6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 360.49 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91767586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).