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

C16H22N4OS — CID 91780154

IUPAC3-[6-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCCCc1nc(C)c(CNc2cc(C3CC(O)C3)ncn2)s1
InChIInChI=1S/C16H22N4OS/c1-3-4-16-20-10(2)14(22-16)8-17-15-7-13(18-9-19-15)11-5-12(21)6-11/h7,9,11-12,21H,3-6,8H2,1-2H3,(H,17,18,19)
InChIKeyYTEUVGIDMAMLPY-UHFFFAOYSA-N
MW318.45 g/mol
LogP3.04
Rot. Bonds6

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

3-[6-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91780154) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 3-[6-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91780154
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name3-[6-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCCCc1nc(C)c(CNc2cc(C3CC(O)C3)ncn2)s1
InChIInChI=1S/C16H22N4OS/c1-3-4-16-20-10(2)14(22-16)8-17-15-7-13(18-9-19-15)11-5-12(21)6-11/h7,9,11-12,21H,3-6,8H2,1-2H3,(H,17,18,19)
InChIKeyYTEUVGIDMAMLPY-UHFFFAOYSA-N
XLogP3.04
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91780154) is 3-[6-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol is CCCc1nc(C)c(CNc2cc(C3CC(O)C3)ncn2)s1.
What is the InChIKey of 3-[6-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is YTEUVGIDMAMLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-3-4-16-20-10(2)14(22-16)8-17-15-7-13(18-9-19-15)11-5-12(21)6-11/h7,9,11-12,21H,3-6,8H2,1-2H3,(H,17,18,19).
What are the key properties of 3-[6-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 318.45 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91780154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).