tert-butyl N-ethyl-N-(1-methoxypropan-2-yl)carbamate;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C34H50N6O4 — CID 159913449

About tert-butyl N-ethyl-N-(1-methoxypropan-2-yl)carbamate;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

tert-butyl N-ethyl-N-(1-methoxypropan-2-yl)carbamate;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 159913449) has the molecular formula C34H50N6O4 and a molecular weight of 606.81 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-(1-methoxypropan-2-yl)carbamate;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: tert-butyl N-ethyl-N-(1-methoxypropan-2-yl)carbamate;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
• PubChem CID: 159913449
• Molecular Formula: C34H50N6O4
• Molecular Weight: 606.81 g/mol
• Exact Mass: 606.39
• IUPAC Name: tert-butyl N-ethyl-N-(1-methoxypropan-2-yl)carbamate;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
• SMILES: CCN(C(=O)OC(C)(C)C)C(C)COC.CN1CCC[C@H]1COc1nc(N)c2c(n1)CN(c1cccc3ccccc13)CC2
• InChI: InChI=1S/C23H27N5O.C11H23NO3/c1-27-12-5-8-17(27)15-29-23-25-20-14-28(13-11-19(20)22(24)26-23)21-10-4-7-16-6-2-3-9-18(16)21;1-7-12(9(2)8-14-6)10(13)15-11(3,4)5/h2-4,6-7,9-10,17H,5,8,11-15H2,1H3,(H2,24,25,26);9H,7-8H2,1-6H3/t17-;/m0./s1
• InChIKey: NXLYDHDZSMCXJE-LMOVPXPDSA-N
• XLogP: 5.53
• TPSA: 106.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.81
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-(1-methoxypropan-2-yl)carbamate;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

The IUPAC name of tert-butyl N-ethyl-N-(1-methoxypropan-2-yl)carbamate;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 159913449) is tert-butyl N-ethyl-N-(1-methoxypropan-2-yl)carbamate;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for tert-butyl N-ethyl-N-(1-methoxypropan-2-yl)carbamate;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

The canonical SMILES for tert-butyl N-ethyl-N-(1-methoxypropan-2-yl)carbamate;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is CCN(C(=O)OC(C)(C)C)C(C)COC.CN1CCC[C@H]1COc1nc(N)c2c(n1)CN(c1cccc3ccccc13)CC2.

What is the InChIKey of tert-butyl N-ethyl-N-(1-methoxypropan-2-yl)carbamate;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

The InChIKey is NXLYDHDZSMCXJE-LMOVPXPDSA-N. The full InChI is InChI=1S/C23H27N5O.C11H23NO3/c1-27-12-5-8-17(27)15-29-23-25-20-14-28(13-11-19(20)22(24)26-23)21-10-4-7-16-6-2-3-9-18(16)21;1-7-12(9(2)8-14-6)10(13)15-11(3,4)5/h2-4,6-7,9-10,17H,5,8,11-15H2,1H3,(H2,24,25,26);9H,7-8H2,1-6H3/t17-;/m0./s1.

What are the key properties of tert-butyl N-ethyl-N-(1-methoxypropan-2-yl)carbamate;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

tert-butyl N-ethyl-N-(1-methoxypropan-2-yl)carbamate;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 606.81 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-ethyl-N-(1-methoxypropan-2-yl)carbamate;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-naphthalen-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 159913449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).