4-[4-amino-2-[(2R)-1-(dimethylamino)butan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol

C23H29N5O2 — CID 159537973

About 4-[4-amino-2-[(2R)-1-(dimethylamino)butan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol

4-[4-amino-2-[(2R)-1-(dimethylamino)butan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol (PubChem CID 159537973) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 4-[4-amino-2-[(2R)-1-(dimethylamino)butan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol.

Molecular Properties

• Compound Name: 4-[4-amino-2-[(2R)-1-(dimethylamino)butan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
• PubChem CID: 159537973
• Molecular Formula: C23H29N5O2
• Molecular Weight: 407.52 g/mol
• Exact Mass: 407.23
• IUPAC Name: 4-[4-amino-2-[(2R)-1-(dimethylamino)butan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
• SMILES: CC[C@H](CN(C)C)Oc1nc(N)c2c(n1)CN(c1cc(O)cc3ccccc13)CC2
• InChI: InChI=1S/C23H29N5O2/c1-4-17(13-27(2)3)30-23-25-20-14-28(10-9-19(20)22(24)26-23)21-12-16(29)11-15-7-5-6-8-18(15)21/h5-8,11-12,17,29H,4,9-10,13-14H2,1-3H3,(H2,24,25,26)/t17-/m1/s1
• InChIKey: RIZYQLUZISRBMF-QGZVFWFLSA-N
• XLogP: 3.20
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.52
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-2-[(2R)-1-(dimethylamino)butan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?

The IUPAC name of 4-[4-amino-2-[(2R)-1-(dimethylamino)butan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol (CID 159537973) is 4-[4-amino-2-[(2R)-1-(dimethylamino)butan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol.

What is the SMILES notation for 4-[4-amino-2-[(2R)-1-(dimethylamino)butan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?

The canonical SMILES for 4-[4-amino-2-[(2R)-1-(dimethylamino)butan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol is CC[C@H](CN(C)C)Oc1nc(N)c2c(n1)CN(c1cc(O)cc3ccccc13)CC2.

What is the InChIKey of 4-[4-amino-2-[(2R)-1-(dimethylamino)butan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?

The InChIKey is RIZYQLUZISRBMF-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-4-17(13-27(2)3)30-23-25-20-14-28(10-9-19(20)22(24)26-23)21-12-16(29)11-15-7-5-6-8-18(15)21/h5-8,11-12,17,29H,4,9-10,13-14H2,1-3H3,(H2,24,25,26)/t17-/m1/s1.

What are the key properties of 4-[4-amino-2-[(2R)-1-(dimethylamino)butan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?

4-[4-amino-2-[(2R)-1-(dimethylamino)butan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol has a molecular weight of 407.52 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-amino-2-[(2R)-1-(dimethylamino)butan-2-yl]oxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol is sourced from PubChem (CID 159537973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).