1-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol

C18H26N6O2 — CID 118760891

About 1-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol

1-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol (PubChem CID 118760891) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol.

Molecular Properties

• Compound Name: 1-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol
• PubChem CID: 118760891
• Molecular Formula: C18H26N6O2
• Molecular Weight: 358.45 g/mol
• Exact Mass: 358.21
• IUPAC Name: 1-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol
• SMILES: Cc1n[nH]c(C)c1CCNc1cc(C2CCOC2)nc(N2CC(O)C2)n1
• InChI: InChI=1S/C18H26N6O2/c1-11-15(12(2)23-22-11)3-5-19-17-7-16(13-4-6-26-10-13)20-18(21-17)24-8-14(25)9-24/h7,13-14,25H,3-6,8-10H2,1-2H3,(H,22,23)(H,19,20,21)
• InChIKey: PNULTIPGLLFMGO-UHFFFAOYSA-N
• XLogP: 1.16
• TPSA: 99.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.45
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol?

The IUPAC name of 1-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol (CID 118760891) is 1-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol.

What is the SMILES notation for 1-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol?

The canonical SMILES for 1-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol is Cc1n[nH]c(C)c1CCNc1cc(C2CCOC2)nc(N2CC(O)C2)n1.

What is the InChIKey of 1-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol?

The InChIKey is PNULTIPGLLFMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-11-15(12(2)23-22-11)3-5-19-17-7-16(13-4-6-26-10-13)20-18(21-17)24-8-14(25)9-24/h7,13-14,25H,3-6,8-10H2,1-2H3,(H,22,23)(H,19,20,21).

What are the key properties of 1-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol?

1-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol has a molecular weight of 358.45 g/mol, XLogP of 1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol is sourced from PubChem (CID 118760891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).