[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1-methyl-3-(oxan-4-yl)piperidin-4-yl]methanone

C25H39N5O3 — CID 163200264

About [(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1-methyl-3-(oxan-4-yl)piperidin-4-yl]methanone

[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1-methyl-3-(oxan-4-yl)piperidin-4-yl]methanone (PubChem CID 163200264) has the molecular formula C25H39N5O3 and a molecular weight of 457.62 g/mol. Its IUPAC name is [(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1-methyl-3-(oxan-4-yl)piperidin-4-yl]methanone.

Molecular Properties

• Compound Name: [(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1-methyl-3-(oxan-4-yl)piperidin-4-yl]methanone
• PubChem CID: 163200264
• Molecular Formula: C25H39N5O3
• Molecular Weight: 457.62 g/mol
• Exact Mass: 457.31
• IUPAC Name: [(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1-methyl-3-(oxan-4-yl)piperidin-4-yl]methanone
• SMILES: C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1C1CCOCC1
• InChI: InChI=1S/C25H39N5O3/c1-17-13-19-14-26-25(27-20-6-11-33-12-7-20)28-23(19)16-30(17)24(31)21-3-8-29(2)15-22(21)18-4-9-32-10-5-18/h14,17-18,20-22H,3-13,15-16H2,1-2H3,(H,26,27,28)/t17-,21+,22-/m1/s1
• InChIKey: CNWAAMSHAIHACL-VOQZNFBZSA-N
• XLogP: 2.34
• TPSA: 79.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.62
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1-methyl-3-(oxan-4-yl)piperidin-4-yl]methanone?

The IUPAC name of [(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1-methyl-3-(oxan-4-yl)piperidin-4-yl]methanone (CID 163200264) is [(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1-methyl-3-(oxan-4-yl)piperidin-4-yl]methanone.

What is the SMILES notation for [(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1-methyl-3-(oxan-4-yl)piperidin-4-yl]methanone?

The canonical SMILES for [(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1-methyl-3-(oxan-4-yl)piperidin-4-yl]methanone is C[C@@H]1Cc2cnc(NC3CCOCC3)nc2CN1C(=O)[C@H]1CCN(C)C[C@@H]1C1CCOCC1.

What is the InChIKey of [(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1-methyl-3-(oxan-4-yl)piperidin-4-yl]methanone?

The InChIKey is CNWAAMSHAIHACL-VOQZNFBZSA-N. The full InChI is InChI=1S/C25H39N5O3/c1-17-13-19-14-26-25(27-20-6-11-33-12-7-20)28-23(19)16-30(17)24(31)21-3-8-29(2)15-22(21)18-4-9-32-10-5-18/h14,17-18,20-22H,3-13,15-16H2,1-2H3,(H,26,27,28)/t17-,21+,22-/m1/s1.

What are the key properties of [(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1-methyl-3-(oxan-4-yl)piperidin-4-yl]methanone?

[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1-methyl-3-(oxan-4-yl)piperidin-4-yl]methanone has a molecular weight of 457.62 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4S)-1-methyl-3-(oxan-4-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 163200264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).