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

C19H20N4O2S — CID 91782557

IUPAC3-[6-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCOc1ccccc1-c1ncc(CNc2cc(C3CC(O)C3)ncn2)s1
InChIInChI=1S/C19H20N4O2S/c1-25-17-5-3-2-4-15(17)19-21-10-14(26-19)9-20-18-8-16(22-11-23-18)12-6-13(24)7-12/h2-5,8,10-13,24H,6-7,9H2,1H3,(H,20,22,23)
InChIKeySAPMISDUCSTUPA-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.46
Rot. Bonds6

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

3-[6-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91782557) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 3-[6-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91782557
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name3-[6-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCOc1ccccc1-c1ncc(CNc2cc(C3CC(O)C3)ncn2)s1
InChIInChI=1S/C19H20N4O2S/c1-25-17-5-3-2-4-15(17)19-21-10-14(26-19)9-20-18-8-16(22-11-23-18)12-6-13(24)7-12/h2-5,8,10-13,24H,6-7,9H2,1H3,(H,20,22,23)
InChIKeySAPMISDUCSTUPA-UHFFFAOYSA-N
XLogP3.46
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91782557) is 3-[6-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol is COc1ccccc1-c1ncc(CNc2cc(C3CC(O)C3)ncn2)s1.
What is the InChIKey of 3-[6-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is SAPMISDUCSTUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-25-17-5-3-2-4-15(17)19-21-10-14(26-19)9-20-18-8-16(22-11-23-18)12-6-13(24)7-12/h2-5,8,10-13,24H,6-7,9H2,1H3,(H,20,22,23).
What are the key properties of 3-[6-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 368.46 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91782557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).