1-[4-(oxolan-3-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]azetidin-3-ol

C20H33N5O2 — CID 119074070

IUPAC1-[4-(oxolan-3-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]azetidin-3-ol
SMILESCC1(C)CC(Nc2cc(C3CCOC3)nc(N3CC(O)C3)n2)CC(C)(C)N1
InChIInChI=1S/C20H33N5O2/c1-19(2)8-14(9-20(3,4)24-19)21-17-7-16(13-5-6-27-12-13)22-18(23-17)25-10-15(26)11-25/h7,13-15,24,26H,5-6,8-12H2,1-4H3,(H,21,22,23)
InChIKeyUJCYKPJVDVKVQU-UHFFFAOYSA-N
MW375.52 g/mol
LogP1.88
Rot. Bonds4

About 1-[4-(oxolan-3-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]azetidin-3-ol

1-[4-(oxolan-3-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]azetidin-3-ol (PubChem CID 119074070) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 1-[4-(oxolan-3-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-[4-(oxolan-3-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]azetidin-3-ol
PubChem CID119074070
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name1-[4-(oxolan-3-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]azetidin-3-ol
SMILESCC1(C)CC(Nc2cc(C3CCOC3)nc(N3CC(O)C3)n2)CC(C)(C)N1
InChIInChI=1S/C20H33N5O2/c1-19(2)8-14(9-20(3,4)24-19)21-17-7-16(13-5-6-27-12-13)22-18(23-17)25-10-15(26)11-25/h7,13-15,24,26H,5-6,8-12H2,1-4H3,(H,21,22,23)
InChIKeyUJCYKPJVDVKVQU-UHFFFAOYSA-N
XLogP1.88
TPSA82.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxolan-3-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]azetidin-3-ol?
The IUPAC name of 1-[4-(oxolan-3-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]azetidin-3-ol (CID 119074070) is 1-[4-(oxolan-3-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]azetidin-3-ol.
What is the SMILES notation for 1-[4-(oxolan-3-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]azetidin-3-ol?
The canonical SMILES for 1-[4-(oxolan-3-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]azetidin-3-ol is CC1(C)CC(Nc2cc(C3CCOC3)nc(N3CC(O)C3)n2)CC(C)(C)N1.
What is the InChIKey of 1-[4-(oxolan-3-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]azetidin-3-ol?
The InChIKey is UJCYKPJVDVKVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-19(2)8-14(9-20(3,4)24-19)21-17-7-16(13-5-6-27-12-13)22-18(23-17)25-10-15(26)11-25/h7,13-15,24,26H,5-6,8-12H2,1-4H3,(H,21,22,23).
What are the key properties of 1-[4-(oxolan-3-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]azetidin-3-ol?
1-[4-(oxolan-3-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]azetidin-3-ol has a molecular weight of 375.52 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxolan-3-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-2-yl]azetidin-3-ol is sourced from PubChem (CID 119074070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).