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

C17H23N5OS — CID 91782485

IUPAC3-[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)ncn3)CC2)cs1
InChIInChI=1S/C17H23N5OS/c1-12-20-14(10-24-12)9-21-2-4-22(5-3-21)17-8-16(18-11-19-17)13-6-15(23)7-13/h8,10-11,13,15,23H,2-7,9H2,1H3
InChIKeyHCIDQVJUXFUXNT-UHFFFAOYSA-N
MW345.47 g/mol
LogP1.80
Rot. Bonds4

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

3-[6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91782485) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 3-[6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91782485
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name3-[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)ncn3)CC2)cs1
InChIInChI=1S/C17H23N5OS/c1-12-20-14(10-24-12)9-21-2-4-22(5-3-21)17-8-16(18-11-19-17)13-6-15(23)7-13/h8,10-11,13,15,23H,2-7,9H2,1H3
InChIKeyHCIDQVJUXFUXNT-UHFFFAOYSA-N
XLogP1.80
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol (CID 91782485) is 3-[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-[6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[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)ncn3)CC2)cs1.
What is the InChIKey of 3-[6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is HCIDQVJUXFUXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-12-20-14(10-24-12)9-21-2-4-22(5-3-21)17-8-16(18-11-19-17)13-6-15(23)7-13/h8,10-11,13,15,23H,2-7,9H2,1H3.
What are the key properties of 3-[6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 345.47 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91782485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).