8-(1-cyclopropylethyl)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(2-propylpentylamino)pteridin-7-one

C27H37N7O2 — CID 138713359

About 8-(1-cyclopropylethyl)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(2-propylpentylamino)pteridin-7-one

8-(1-cyclopropylethyl)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(2-propylpentylamino)pteridin-7-one (PubChem CID 138713359) has the molecular formula C27H37N7O2 and a molecular weight of 491.64 g/mol. Its IUPAC name is 8-(1-cyclopropylethyl)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(2-propylpentylamino)pteridin-7-one.

Molecular Properties

• Compound Name: 8-(1-cyclopropylethyl)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(2-propylpentylamino)pteridin-7-one
• PubChem CID: 138713359
• Molecular Formula: C27H37N7O2
• Molecular Weight: 491.64 g/mol
• Exact Mass: 491.30
• IUPAC Name: 8-(1-cyclopropylethyl)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(2-propylpentylamino)pteridin-7-one
• SMILES: CCCC(CCC)CNc1nc2cnc(-c3c(OC)ncnc3C3CC3)nc2n(C(C)C2CC2)c1=O
• InChI: InChI=1S/C27H37N7O2/c1-5-7-17(8-6-2)13-28-24-27(35)34(16(3)18-9-10-18)25-20(32-24)14-29-23(33-25)21-22(19-11-12-19)30-15-31-26(21)36-4/h14-19H,5-13H2,1-4H3,(H,28,32)
• InChIKey: BQAJZVBEBWGVDM-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 107.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.64
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 8-(1-cyclopropylethyl)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(2-propylpentylamino)pteridin-7-one?

The IUPAC name of 8-(1-cyclopropylethyl)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(2-propylpentylamino)pteridin-7-one (CID 138713359) is 8-(1-cyclopropylethyl)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(2-propylpentylamino)pteridin-7-one.

What is the SMILES notation for 8-(1-cyclopropylethyl)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(2-propylpentylamino)pteridin-7-one?

The canonical SMILES for 8-(1-cyclopropylethyl)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(2-propylpentylamino)pteridin-7-one is CCCC(CCC)CNc1nc2cnc(-c3c(OC)ncnc3C3CC3)nc2n(C(C)C2CC2)c1=O.

What is the InChIKey of 8-(1-cyclopropylethyl)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(2-propylpentylamino)pteridin-7-one?

The InChIKey is BQAJZVBEBWGVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N7O2/c1-5-7-17(8-6-2)13-28-24-27(35)34(16(3)18-9-10-18)25-20(32-24)14-29-23(33-25)21-22(19-11-12-19)30-15-31-26(21)36-4/h14-19H,5-13H2,1-4H3,(H,28,32).

What are the key properties of 8-(1-cyclopropylethyl)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(2-propylpentylamino)pteridin-7-one?

8-(1-cyclopropylethyl)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(2-propylpentylamino)pteridin-7-one has a molecular weight of 491.64 g/mol, XLogP of 5.13, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1-cyclopropylethyl)-2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-6-(2-propylpentylamino)pteridin-7-one is sourced from PubChem (CID 138713359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).