2-[(2R)-butan-2-yl]oxy-7-(3-phenylmethoxynaphthalen-1-yl)-N,N-dipropyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C34H42N4O2 — CID 142595525

About 2-[(2R)-butan-2-yl]oxy-7-(3-phenylmethoxynaphthalen-1-yl)-N,N-dipropyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

2-[(2R)-butan-2-yl]oxy-7-(3-phenylmethoxynaphthalen-1-yl)-N,N-dipropyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 142595525) has the molecular formula C34H42N4O2 and a molecular weight of 538.74 g/mol. Its IUPAC name is 2-[(2R)-butan-2-yl]oxy-7-(3-phenylmethoxynaphthalen-1-yl)-N,N-dipropyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-[(2R)-butan-2-yl]oxy-7-(3-phenylmethoxynaphthalen-1-yl)-N,N-dipropyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
• PubChem CID: 142595525
• Molecular Formula: C34H42N4O2
• Molecular Weight: 538.74 g/mol
• Exact Mass: 538.33
• IUPAC Name: 2-[(2R)-butan-2-yl]oxy-7-(3-phenylmethoxynaphthalen-1-yl)-N,N-dipropyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
• SMILES: CCCN(CCC)c1nc(O[C@H](C)CC)nc2c1CCN(c1cc(OCc3ccccc3)cc3ccccc13)C2
• InChI: InChI=1S/C34H42N4O2/c1-5-18-37(19-6-2)33-30-17-20-38(23-31(30)35-34(36-33)40-25(4)7-3)32-22-28(21-27-15-11-12-16-29(27)32)39-24-26-13-9-8-10-14-26/h8-16,21-22,25H,5-7,17-20,23-24H2,1-4H3/t25-/m1/s1
• InChIKey: UECMBSKPUIDSOK-RUZDIDTESA-N
• XLogP: 7.58
• TPSA: 50.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.74
LogP ≤ 5	7.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-butan-2-yl]oxy-7-(3-phenylmethoxynaphthalen-1-yl)-N,N-dipropyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

The IUPAC name of 2-[(2R)-butan-2-yl]oxy-7-(3-phenylmethoxynaphthalen-1-yl)-N,N-dipropyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 142595525) is 2-[(2R)-butan-2-yl]oxy-7-(3-phenylmethoxynaphthalen-1-yl)-N,N-dipropyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 2-[(2R)-butan-2-yl]oxy-7-(3-phenylmethoxynaphthalen-1-yl)-N,N-dipropyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 2-[(2R)-butan-2-yl]oxy-7-(3-phenylmethoxynaphthalen-1-yl)-N,N-dipropyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is CCCN(CCC)c1nc(O[C@H](C)CC)nc2c1CCN(c1cc(OCc3ccccc3)cc3ccccc13)C2.

What is the InChIKey of 2-[(2R)-butan-2-yl]oxy-7-(3-phenylmethoxynaphthalen-1-yl)-N,N-dipropyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

The InChIKey is UECMBSKPUIDSOK-RUZDIDTESA-N. The full InChI is InChI=1S/C34H42N4O2/c1-5-18-37(19-6-2)33-30-17-20-38(23-31(30)35-34(36-33)40-25(4)7-3)32-22-28(21-27-15-11-12-16-29(27)32)39-24-26-13-9-8-10-14-26/h8-16,21-22,25H,5-7,17-20,23-24H2,1-4H3/t25-/m1/s1.

What are the key properties of 2-[(2R)-butan-2-yl]oxy-7-(3-phenylmethoxynaphthalen-1-yl)-N,N-dipropyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

2-[(2R)-butan-2-yl]oxy-7-(3-phenylmethoxynaphthalen-1-yl)-N,N-dipropyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 538.74 g/mol, XLogP of 7.58, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-butan-2-yl]oxy-7-(3-phenylmethoxynaphthalen-1-yl)-N,N-dipropyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 142595525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).