3-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol

C14H18N4OS — CID 91766495

IUPAC3-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(CNc2cc(C3CC(O)C3)ncn2)sc1C
InChIInChI=1S/C14H18N4OS/c1-8-9(2)20-14(18-8)6-15-13-5-12(16-7-17-13)10-3-11(19)4-10/h5,7,10-11,19H,3-4,6H2,1-2H3,(H,15,16,17)
InChIKeyBZSNQMFFDLEPQD-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.40
Rot. Bonds4

About 3-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol

3-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91766495) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91766495
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name3-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(CNc2cc(C3CC(O)C3)ncn2)sc1C
InChIInChI=1S/C14H18N4OS/c1-8-9(2)20-14(18-8)6-15-13-5-12(16-7-17-13)10-3-11(19)4-10/h5,7,10-11,19H,3-4,6H2,1-2H3,(H,15,16,17)
InChIKeyBZSNQMFFDLEPQD-UHFFFAOYSA-N
XLogP2.40
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91766495) is 3-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol is Cc1nc(CNc2cc(C3CC(O)C3)ncn2)sc1C.
What is the InChIKey of 3-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is BZSNQMFFDLEPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-8-9(2)20-14(18-8)6-15-13-5-12(16-7-17-13)10-3-11(19)4-10/h5,7,10-11,19H,3-4,6H2,1-2H3,(H,15,16,17).
What are the key properties of 3-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 290.39 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91766495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).