(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-(5-methylthiophen-2-yl)pteridin-2-yl]-6-methylmorpholine

C24H27N7OS — CID 166121862

About (2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-(5-methylthiophen-2-yl)pteridin-2-yl]-6-methylmorpholine

(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-(5-methylthiophen-2-yl)pteridin-2-yl]-6-methylmorpholine (PubChem CID 166121862) has the molecular formula C24H27N7OS and a molecular weight of 461.60 g/mol. Its IUPAC name is (2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-(5-methylthiophen-2-yl)pteridin-2-yl]-6-methylmorpholine.

Molecular Properties

• Compound Name: (2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-(5-methylthiophen-2-yl)pteridin-2-yl]-6-methylmorpholine
• PubChem CID: 166121862
• Molecular Formula: C24H27N7OS
• Molecular Weight: 461.60 g/mol
• Exact Mass: 461.20
• IUPAC Name: (2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-(5-methylthiophen-2-yl)pteridin-2-yl]-6-methylmorpholine
• SMILES: Cc1ccc(-c2nc(N3C[C@@H](C)O[C@H](c4cnn(C5CC5)c4)C3)nc3nc(C)c(C)nc23)s1
• InChI: InChI=1S/C24H27N7OS/c1-13-10-30(12-19(32-13)17-9-25-31(11-17)18-6-7-18)24-28-21(20-8-5-14(2)33-20)22-23(29-24)27-16(4)15(3)26-22/h5,8-9,11,13,18-19H,6-7,10,12H2,1-4H3/t13-,19+/m1/s1
• InChIKey: QEKNUROMJAYSJP-YJYMSZOUSA-N
• XLogP: 4.57
• TPSA: 81.85 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.60
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-(5-methylthiophen-2-yl)pteridin-2-yl]-6-methylmorpholine?

The IUPAC name of (2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-(5-methylthiophen-2-yl)pteridin-2-yl]-6-methylmorpholine (CID 166121862) is (2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-(5-methylthiophen-2-yl)pteridin-2-yl]-6-methylmorpholine.

What is the SMILES notation for (2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-(5-methylthiophen-2-yl)pteridin-2-yl]-6-methylmorpholine?

The canonical SMILES for (2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-(5-methylthiophen-2-yl)pteridin-2-yl]-6-methylmorpholine is Cc1ccc(-c2nc(N3C[C@@H](C)O[C@H](c4cnn(C5CC5)c4)C3)nc3nc(C)c(C)nc23)s1.

What is the InChIKey of (2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-(5-methylthiophen-2-yl)pteridin-2-yl]-6-methylmorpholine?

The InChIKey is QEKNUROMJAYSJP-YJYMSZOUSA-N. The full InChI is InChI=1S/C24H27N7OS/c1-13-10-30(12-19(32-13)17-9-25-31(11-17)18-6-7-18)24-28-21(20-8-5-14(2)33-20)22-23(29-24)27-16(4)15(3)26-22/h5,8-9,11,13,18-19H,6-7,10,12H2,1-4H3/t13-,19+/m1/s1.

What are the key properties of (2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-(5-methylthiophen-2-yl)pteridin-2-yl]-6-methylmorpholine?

(2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-(5-methylthiophen-2-yl)pteridin-2-yl]-6-methylmorpholine has a molecular weight of 461.60 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[6,7-dimethyl-4-(5-methylthiophen-2-yl)pteridin-2-yl]-6-methylmorpholine is sourced from PubChem (CID 166121862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).