tert-butyl N-[(2S)-2-[[2-tert-butyl-4-(furan-2-ylmethylamino)pyrimidine-5-carbonyl]-(2-methylpropyl)amino]-3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate

C32H51N7O6 — CID 59625553

About tert-butyl N-[(2S)-2-[[2-tert-butyl-4-(furan-2-ylmethylamino)pyrimidine-5-carbonyl]-(2-methylpropyl)amino]-3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate

tert-butyl N-[(2S)-2-[[2-tert-butyl-4-(furan-2-ylmethylamino)pyrimidine-5-carbonyl]-(2-methylpropyl)amino]-3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate (PubChem CID 59625553) has the molecular formula C32H51N7O6 and a molecular weight of 629.80 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-[[2-tert-butyl-4-(furan-2-ylmethylamino)pyrimidine-5-carbonyl]-(2-methylpropyl)amino]-3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(2S)-2-[[2-tert-butyl-4-(furan-2-ylmethylamino)pyrimidine-5-carbonyl]-(2-methylpropyl)amino]-3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate
• PubChem CID: 59625553
• Molecular Formula: C32H51N7O6
• Molecular Weight: 629.80 g/mol
• Exact Mass: 629.39
• IUPAC Name: tert-butyl N-[(2S)-2-[[2-tert-butyl-4-(furan-2-ylmethylamino)pyrimidine-5-carbonyl]-(2-methylpropyl)amino]-3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate
• SMILES: CC(C)CN(C(=O)c1cnc(C(C)(C)C)nc1NCc1ccco1)[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCCN1CCOCC1
• InChI: InChI=1S/C32H51N7O6/c1-22(2)21-39(28(41)24-19-35-29(31(3,4)5)37-26(24)34-18-23-10-9-15-44-23)25(20-36-30(42)45-32(6,7)8)27(40)33-11-12-38-13-16-43-17-14-38/h9-10,15,19,22,25H,11-14,16-18,20-21H2,1-8H3,(H,33,40)(H,36,42)(H,34,35,37)/t25-/m0/s1
• InChIKey: HYXSNLLLGKJNBM-VWLOTQADSA-N
• XLogP: 3.42
• TPSA: 151.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	629.80
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-[[2-tert-butyl-4-(furan-2-ylmethylamino)pyrimidine-5-carbonyl]-(2-methylpropyl)amino]-3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate?

The IUPAC name of tert-butyl N-[(2S)-2-[[2-tert-butyl-4-(furan-2-ylmethylamino)pyrimidine-5-carbonyl]-(2-methylpropyl)amino]-3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate (CID 59625553) is tert-butyl N-[(2S)-2-[[2-tert-butyl-4-(furan-2-ylmethylamino)pyrimidine-5-carbonyl]-(2-methylpropyl)amino]-3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate.

What is the SMILES notation for tert-butyl N-[(2S)-2-[[2-tert-butyl-4-(furan-2-ylmethylamino)pyrimidine-5-carbonyl]-(2-methylpropyl)amino]-3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate?

The canonical SMILES for tert-butyl N-[(2S)-2-[[2-tert-butyl-4-(furan-2-ylmethylamino)pyrimidine-5-carbonyl]-(2-methylpropyl)amino]-3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate is CC(C)CN(C(=O)c1cnc(C(C)(C)C)nc1NCc1ccco1)[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCCN1CCOCC1.

What is the InChIKey of tert-butyl N-[(2S)-2-[[2-tert-butyl-4-(furan-2-ylmethylamino)pyrimidine-5-carbonyl]-(2-methylpropyl)amino]-3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate?

The InChIKey is HYXSNLLLGKJNBM-VWLOTQADSA-N. The full InChI is InChI=1S/C32H51N7O6/c1-22(2)21-39(28(41)24-19-35-29(31(3,4)5)37-26(24)34-18-23-10-9-15-44-23)25(20-36-30(42)45-32(6,7)8)27(40)33-11-12-38-13-16-43-17-14-38/h9-10,15,19,22,25H,11-14,16-18,20-21H2,1-8H3,(H,33,40)(H,36,42)(H,34,35,37)/t25-/m0/s1.

What are the key properties of tert-butyl N-[(2S)-2-[[2-tert-butyl-4-(furan-2-ylmethylamino)pyrimidine-5-carbonyl]-(2-methylpropyl)amino]-3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate?

tert-butyl N-[(2S)-2-[[2-tert-butyl-4-(furan-2-ylmethylamino)pyrimidine-5-carbonyl]-(2-methylpropyl)amino]-3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate has a molecular weight of 629.80 g/mol, XLogP of 3.42, 13 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2S)-2-[[2-tert-butyl-4-(furan-2-ylmethylamino)pyrimidine-5-carbonyl]-(2-methylpropyl)amino]-3-(2-morpholin-4-ylethylamino)-3-oxopropyl]carbamate is sourced from PubChem (CID 59625553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).