(2S)-2-[(1R)-1-[(4S)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-3-methoxypropyl]-N-[(4S)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide

C26H37FN4O4 — CID 164864867

About (2S)-2-[(1R)-1-[(4S)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-3-methoxypropyl]-N-[(4S)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide

(2S)-2-[(1R)-1-[(4S)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-3-methoxypropyl]-N-[(4S)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide (PubChem CID 164864867) has the molecular formula C26H37FN4O4 and a molecular weight of 488.60 g/mol. Its IUPAC name is (2S)-2-[(1R)-1-[(4S)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-3-methoxypropyl]-N-[(4S)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: (2S)-2-[(1R)-1-[(4S)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-3-methoxypropyl]-N-[(4S)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide
• PubChem CID: 164864867
• Molecular Formula: C26H37FN4O4
• Molecular Weight: 488.60 g/mol
• Exact Mass: 488.28
• IUPAC Name: (2S)-2-[(1R)-1-[(4S)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-3-methoxypropyl]-N-[(4S)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide
• SMILES: CC[C@@]1(C)CC(=O)N([C@H](CCOC)[C@H]2CC2C(=O)N[C@H]2CC(C)(C)Oc3ccc(F)cc32)C(N)=N1
• InChI: InChI=1S/C26H37FN4O4/c1-6-26(4)14-22(32)31(24(28)30-26)20(9-10-34-5)16-12-17(16)23(33)29-19-13-25(2,3)35-21-8-7-15(27)11-18(19)21/h7-8,11,16-17,19-20H,6,9-10,12-14H2,1-5H3,(H2,28,30)(H,29,33)/t16-,17?,19-,20+,26-/m0/s1
• InChIKey: LYJJONHQUJSTAC-QKYUXWCZSA-N
• XLogP: 3.30
• TPSA: 106.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.60
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1R)-1-[(4S)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-3-methoxypropyl]-N-[(4S)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide?

The IUPAC name of (2S)-2-[(1R)-1-[(4S)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-3-methoxypropyl]-N-[(4S)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide (CID 164864867) is (2S)-2-[(1R)-1-[(4S)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-3-methoxypropyl]-N-[(4S)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for (2S)-2-[(1R)-1-[(4S)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-3-methoxypropyl]-N-[(4S)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide?

The canonical SMILES for (2S)-2-[(1R)-1-[(4S)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-3-methoxypropyl]-N-[(4S)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide is CC[C@@]1(C)CC(=O)N([C@H](CCOC)[C@H]2CC2C(=O)N[C@H]2CC(C)(C)Oc3ccc(F)cc32)C(N)=N1.

What is the InChIKey of (2S)-2-[(1R)-1-[(4S)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-3-methoxypropyl]-N-[(4S)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide?

The InChIKey is LYJJONHQUJSTAC-QKYUXWCZSA-N. The full InChI is InChI=1S/C26H37FN4O4/c1-6-26(4)14-22(32)31(24(28)30-26)20(9-10-34-5)16-12-17(16)23(33)29-19-13-25(2,3)35-21-8-7-15(27)11-18(19)21/h7-8,11,16-17,19-20H,6,9-10,12-14H2,1-5H3,(H2,28,30)(H,29,33)/t16-,17?,19-,20+,26-/m0/s1.

What are the key properties of (2S)-2-[(1R)-1-[(4S)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-3-methoxypropyl]-N-[(4S)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide?

(2S)-2-[(1R)-1-[(4S)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-3-methoxypropyl]-N-[(4S)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide has a molecular weight of 488.60 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(1R)-1-[(4S)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-3-methoxypropyl]-N-[(4S)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 164864867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).